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1000018 10 9 | Cheminformatics

Chemical : 2,6-Dibromo-5-ethoxypyridin-3-amine

Casrn : 1000018-10-9

MolName : 2,6-Dibromo-5-ethoxypyridin-3-amine

MolecularFormula : C7H8N2OBr2

Smiles : CCOc(c(Br)n1)cc(N)c1Br

InChI : InChI=1S/C7H8Br2N2O/c1-2-12-5-3-4(10)6(8)11-7(5)9/h3H,2,10H2,1H3

InChIK : JBYDYHKAHAUMOL-UHFFFAOYSA-N

CanonicalSyTyLFy : e9fb9017a4ace5c7

TotalMolweight : 295.962

Molweight : 295.962

MonoisotopicMass : 293.900335

CLogP : 1.9629

CLogS : -2.409

H Acceptors : 3

H Donors : 1

TotalSurfaceArea : 153.82

Relative PSA : 0.2356

PolarSurfaceArea : 48.14

Druglikeness : -5.2121

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions :

Shape Index : 0.66667

Molecula Flexibility : 0.12336

Molecular Complexity : 0.70568

Fragments : 1

Non HAtoms : 12

NonCHAtoms : 5

Electronegative Atoms : 5

Rotatable Bond : 2

Rings Closures : 1

Small Rings : 1

Aromatic Rings : 1

Aromatic Atoms : 6

Sp3Atoms : 3

Amines : 1

Aromatic Amines : 1

Aromatic Nitrogens : 1

StereoCon :

CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness
100-77-6nonenonenoneC6H4N2Cl.Cl139.565-4.1248
100031-92-3nonenonehighC10H30OSi4278.691-53.619
100-07-2highhighlowC8H7O2Cl170.595-10.49
100-87-8nonenonenoneC7H8O3S172.204-10.732
10-18-2004nonenonenoneC6H8OS2160.261-3.1913
1000339-36-5nonenonenoneC16H19NO3S305.397-3.4866
100-73-2highnonenoneC6H8O2112.128-6.3422
100010-02-4nonenonenoneC14H23NO221.343-6.1109
100-23-2nonehighnoneC8H10N2O2166.179-5.0759
017257-81-7nonenonenoneC6H10O2114.1430.9106
1000068-26-7nonenonenoneC13H15NO4BF279.074-46.077
10001-30-6nonenonenoneC17H14O4282.294-0.8408
1000018-25-6nonenonenoneC13H24N2O6S336.408-32.405
100-29-8nonenonenoneC8H9NO3167.163-8.928
1000068-24-5nonenonelowC13H15NO4BCl295.529-44.638
1000-83-5lowhighhighC2H6N2OS106.149-2.264
1000-57-3highnonelowC6H16SSn238.969-7.4261
100-79-8nonelownoneC6H12O3132.158-9.8672
10-35-5nonenonenoneC4H6O2BrF184.992-23.473
1000000-13-4highhighhighC21H28O12472.441-0.17986
100033-28-1lownonehighC6H9N7179.186-2.3035
100-27-6lownonenoneC8H9NO3167.163-9.2735
1000-43-7highhighhighC8H18Cl2Si213.223-31.848
1000018-48-3nonenonenoneC12H15NO4S269.321.5148
1000339-52-5nonenonenoneC7H3N2O2F166.111-12.761
10001-13-5nonenonehighC12H22N2O210.323.9217
100007-62-3nonenonehighC8H13NO139.197-8.1398
1000166-63-1nonehighnoneC20H23N8O2Br487.361-0.90793
100-58-3nonenonenoneBr.C6H5Mg101.411-2.3575
100-34-5nonenonenoneCl.C6H5N2105.12-4.365
10003-42-6nonenonenoneC11H11NO4221.211-4.7046
1000198-80-0nonenonenoneC11H14NF179.237-0.04876
100-09-4nonenonenoneC8H8O3152.149-1.597
1000339-26-3nonenonenoneC14H7N2OBrCl2370.033-0.59356
100027-27-8nonenonenoneCH3I.C20H24N2292.4253.4994
100-99-2nonenonelowC12H27Al198.328-22.009
100007-67-8highnonelowC5H7OClF2156.559-12.702
1000018-58-5nonenonenoneC6H4NBr2Cl285.366-3.6
100-89-0nonenonelowC18H36O6B2370.1-16.157
100-22-1highhighnoneC10H16N2164.2510.40939
1000-78-8highlownoneC11H24N2184.326-10.254
1000289-40-6nonenonenoneC7H4N2Br2S307.997-2.2608
100-14-1highhighlowC7H6NO2Cl171.583-7.5061
100-62-9lownonenoneC7H7N105.14-1.1924
1000296-70-7nonenonenoneC19H27NO7S3477.6213.1322
100-50-5nonenonehighC7H10O110.155-9.6048
1000-67-5nonenonehighC4H9O4S.Na153.177-10.412
10-13-2009nonenonenoneC15H14O5274.271-1.4702
1000160-97-3nonenonenoneC24H28N2O3.C11H8O3392.4971.9926
100031-76-3nonenonenoneC30H44NO8P577.652-46.719
1000018-71-2nonenonehighC14H19N3O4293.322-2.5213
100007-40-7nonenonenoneC31H42N4O7582.695-0.42167
100-33-4nonenonenoneC19H24N4O2340.426-7.2784
1000-40-4highnonelowC10H24S2Sn327.143-7.0269
10002-06-9nonenonenoneC10H8N3ClS237.7142.0874
100005-68-3nonenonenoneC13H12O4232.234-4.9451
1000068-65-4nonenonenoneC13H15NO4BF279.074-46.077
100-52-7highhighhighC7H6O106.124-4.225
100010-99-9nonenonenoneC11H24O2188.31-23.185
100-21-0highnonehighC8H6O4166.132-1.8442