Chemical : 5-Chloroimidazo[1,2-a]pyridine-2-carboxylic acid
Casrn : 1000017-93-5 |
MolName : 5-Chloroimidazo[1,2-a]pyridine-2-carboxylic acid |
MolecularFormula : C8H5N2O2Cl |
Smiles : OC(c1cn2c(Cl)cccc2n1)=O |
InChI : InChI=1S/C8H5ClN2O2/c9-6-2-1-3-7-10-5(8(12)13)4-11(6)7/h1-4H,(H,12,13) |
InChIK : TVUHAHMCORHJBN-UHFFFAOYSA-N |
CanonicalSyTyLFy : ad6d73908227c8e0 |
TotalMolweight : 196.593 |
Molweight : 196.593 |
MonoisotopicMass : 196.003955 |
CLogP : 0.6742 |
CLogS : -3.433 |
H Acceptors : 4 |
H Donors : 1 |
TotalSurfaceArea : 136.79 |
Relative PSA : 0.32941 |
PolarSurfaceArea : 54.6 |
Druglikeness : 2.9136 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.53846 |
Molecula Flexibility : 0.18874 |
Molecular Complexity : 0.74577 |
Fragments : 1 |
Non HAtoms : 13 |
NonCHAtoms : 5 |
Electronegative Atoms : 5 |
Rotatable Bond : 1 |
Rings Closures : 2 |
Small Rings : 2 |
Aromatic Rings : 2 |
Aromatic Atoms : 9 |
Sp3Atoms : 1 |
Aromatic Nitrogens : 2 |
BasicNitrogens : 1 |
AcidicOxygens : 1 |
StereoCon : |
CAS Number | Mutagenic | Tumorigenic | Irritant | Molecule Formula | Mol Weight | Druglikeness |
---|---|---|---|---|---|---|
100007-87-2 | none | none | none | C16H9N2OBr | 325.164 | 0.88714 |
100010-99-9 | none | none | none | C11H24O2 | 188.31 | -23.185 |
100-58-3 | none | none | none | Br.C6H5Mg | 101.411 | -2.3575 |
1000339-25-2 | none | none | none | C14H8N2OBrF | 319.133 | -1.9975 |
100007-67-8 | high | none | low | C5H7OClF2 | 156.559 | -12.702 |
1000025-59-1 | none | none | none | C14H11O3Cl | 262.691 | -1.449 |
1000018-13-2 | none | none | none | C11H14NO2Br | 272.141 | -5.4951 |
100010-21-7 | none | none | none | C14H21NO | 219.327 | -4.2999 |
100016-58-8 | none | high | none | C19H19NO5 | 341.362 | 1.8385 |
100-09-4 | none | none | none | C8H8O3 | 152.149 | -1.597 |
100009-01-6 | none | none | none | C15H13N3O3 | 283.286 | -2.3895 |
100032-79-9 | none | high | none | C6H6N3O2Br.HCl | 232.037 | -11.653 |
100-62-9 | low | none | none | C7H7N | 105.14 | -1.1924 |
100-20-9 | high | none | low | C8H4O2Cl2 | 203.024 | -10.706 |
1000018-23-4 | none | none | none | C12H17N3O3 | 251.285 | 2.8124 |
1000339-28-5 | none | none | none | C14H8N2OBrCl | 335.588 | -0.59356 |
1000-63-1 | none | none | high | C8H18O | 130.23 | -19.78 |
1000335-27-2 | none | none | none | C10H15N4OCl | 242.709 | 0.81574 |
1000-58-4 | high | high | high | C4H8Cl4Si | 226.006 | -54.611 |
100-54-9 | none | none | none | C6H4N2 | 104.112 | -6.0498 |
10003-67-5 | none | none | none | C33H62O6 | 554.849 | -22.973 |
1000296-71-8 | none | none | high | C19H27NO8S3 | 493.62 | -2.9952 |
1000269-65-7 | none | none | none | C12H19N3 | 205.304 | 0.25629 |
100-52-7 | high | high | high | C7H6O | 106.124 | -4.225 |
100-67-4 | none | none | none | K.C6H5O | 93.1047 | -2.2548 |
1000018-48-3 | none | none | none | C12H15NO4S | 269.32 | 1.5148 |
1000018-71-2 | none | none | high | C14H19N3O4 | 293.322 | -2.5213 |
1000-67-5 | none | none | high | C4H9O4S.Na | 153.177 | -10.412 |
1000-36-8 | none | none | none | C11H25O3P | 236.29 | -27.011 |
100005-79-6 | none | none | none | C12H9NS | 199.276 | -2.6106 |
100005-12-7 | none | none | low | C11H10NCl | 191.66 | 2.2675 |
100-73-2 | high | none | none | C6H8O2 | 112.128 | -6.3422 |
100-16-3 | low | high | none | C6H7N3O2 | 153.141 | -9.8627 |
1000339-52-5 | none | none | none | C7H3N2O2F | 166.111 | -12.761 |
100021-46-3 | none | none | none | C9H11NO2 | 165.191 | -3.1955 |
100-27-6 | low | none | none | C8H9NO3 | 167.163 | -9.2735 |
100-23-2 | none | high | none | C8H10N2O2 | 166.179 | -5.0759 |
100021-84-9 | high | high | high | H3O4P.C18H36O2.C2H8N2 | 284.482 | -25.216 |
10001-82-8 | none | none | none | C24H26N4O5S | 482.559 | 9.4242 |
100-17-4 | none | none | none | C7H7NO3 | 153.137 | -7.2945 |
100019-40-7 | none | none | none | C14H15NO3 | 245.277 | -1.947 |
100-45-8 | none | none | high | C7H9N | 107.155 | -10.018 |
1000-83-5 | low | high | high | C2H6N2OS | 106.149 | -2.264 |
100-69-6 | none | none | none | C7H7N | 105.14 | -4.4598 |
1000160-96-2 | none | none | none | C24H28N2O3.C2H4O2 | 392.497 | 1.9926 |
100004-92-0 | none | none | none | C16H11NO2 | 249.268 | -1.5746 |
100021-79-2 | none | high | high | C16H32O2.C2H8N2 | 256.428 | -25.216 |
1000339-27-4 | none | none | none | C14H8N3O3Br | 346.14 | -5.8142 |
1000-43-7 | high | high | high | C8H18Cl2Si | 213.223 | -31.848 |
100003-85-8 | high | high | none | C13H8N2OCl2S | 311.192 | 1.0858 |
100028-43-1 | none | none | none | Br.C21H35N2 | 315.523 | -2.5218 |
100-32-3 | none | none | none | C12H8N2O4S2 | 308.338 | -7.3436 |
100-95-8 | none | none | none | Cl.C23H41N2O | 361.592 | -17.647 |
1000296-70-7 | none | none | none | C19H27NO7S3 | 477.621 | 3.1322 |
1000-00-6 | none | none | high | C10H26OSi2 | 218.487 | -62.76 |
100-38-9 | none | none | high | C6H15NS | 133.258 | 0.17671 |
100009-23-2 | none | none | high | C17H22 | 226.362 | -9.7346 |
100-19-6 | none | none | none | C8H7NO3 | 165.148 | -7.0365 |
1000018-24-5 | none | none | none | C12H18N4O3 | 266.3 | -0.33651 |
100016-73-7 | high | high | high | C6H5OCl.C10H16O.CH2O | 152.236 | -3.7075 |