Chem 23 Bipyridine 6 Carboxylicacid Dsrpl

Compound 297
  CheckMol                        TMF02:r0:m0
MF=C11H8N2O2 MW=200.20
 15 16  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0119   -1.4972   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3309   -2.2340   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2833   -2.2340   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2715   -3.7312   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.5786   -1.4735   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5667   -4.4798   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8738   -2.2102   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5548   -5.9770   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8619   -3.7193   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2358   -6.7137   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8500   -6.7256   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2239   -8.2110   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    3.8381   -8.2228   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5191   -8.9596   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5 02  0  1  0  0
  4  6 01  0  1  0  0
  5  7 01  0  1  0  0
  6  8 02  0  1  0  0
  7  9  1  0  0  0  0
  7 10 02  0  1  0  0
  9 11 02  0  1  0  0
  9 12 01  0  1  0  0
 11 13 01  0  1  0  0
 12 14 02  0  1  0  0
 13 15 02  0  1  0  0
  8 10 01  0  1  0  0
 14 15 01  0  1  0  0
M  END

2,3-bipyridine-6-carboxylicacid

₹ 0.00 0.00

Chemical Name - 2,3-bipyridine-6-carboxylicacid
Mol Weight - 200.197
Smiles - OC(c1nc(-c2cnccc2)ccc1)=O

Property Name	Property Value
Mol Name	2,3-bipyridine-6-carboxylicacid
Molweight	200.197
Monoisotopic Mass	200.058578
Clogp	0.9471
Clogs	-1.841
H Acceptors	4
H Donors	1
Total Surface Area	154.64
Relative Psa	0.31092
Polar Surface Area	63.08
Druglikeness	-1.5746
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.6
Molecular Flexibility	0.40333
Molecular Complexity	0.68976
Fragments	1
Non H Atoms	15
Non Ch Atoms	4
Electronegative Atoms	4
Rotatable Bonds	2
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	1
Aromatic Nitrogens	2
Acidic Oxygens	1
Smiles	OC(c1nc(-c2cnccc2)ccc1)=O
InChIKey	InChI=1S/C11H8N2O2/c14-11(15)10-5-1-4-9(13-10)8-3-2-6-12-7-8/h1-7H,(H,14,15)
InChI	JDIWAIVHNHCTTG-UHFFFAOYSA-N

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2,3-bipyridine-6-carboxylicacid