Chem 2 3 Carboxy 2 Pyridylpyridine 3 Carboxylicacid Dsrpl

Compound 358
  CheckMol                        TMF02:r0:m0
MF=C12H8N2O4 MW=244.21
 18 19  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3061    0.7530   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3178    2.2591   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6121    0.0235   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9182    0.7883   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6239   -1.4590   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2243    0.0588   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9300    2.2944   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9300   -2.1885   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2360   -1.4237   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6474    3.0475   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
   -5.2360    3.0592   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6592    4.5536   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -6.5421    2.3180   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2478    4.5653   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9653    5.3066   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -7.8481    3.0828   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5538    0.8354   -0.0000 O   0  0  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
  5  8  1  0  0  0  0
  6  9 02  0  1  0  0
  7 10 02  0  1  0  0
  8 11 02  0  1  0  0
  8 12 01  0  1  0  0
 11 13 01  0  1  0  0
 12 14  1  0  0  0  0
 12 15 02  0  1  0  0
 13 16 02  0  1  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
  9 10 01  0  1  0  0
 15 16 01  0  1  0  0
M  END

2-(3-carboxy-2-pyridyl)pyridine-3-carboxylicacid

₹ 0.00 0.00

Chemical Name - 2-(3-carboxy-2-pyridyl)pyridine-3-carboxylicacid
Mol Weight - 244.206
Smiles - OC(c1cccnc1-c(nccc1)c1C(O)=O)=O

Property Name	Property Value
Mol Name	2-(3-carboxy-2-pyridyl)pyridine-3-carboxylicacid
Molweight	244.206
Monoisotopic Mass	244.048408
Clogp	0.4692
Clogs	-1.522
H Acceptors	6
H Donors	2
Total Surface Area	178.74
Relative Psa	0.41524
Polar Surface Area	100.38
Druglikeness	-1.5746
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.44444
Molecular Flexibility	0.46671
Molecular Complexity	0.81951
Fragments	1
Non H Atoms	18
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	3
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3 Atoms	2
Symmetric Atoms	9
Aromatic Nitrogens	2
Acidic Oxygens	2
Smiles	OC(c1cccnc1-c(nccc1)c1C(O)=O)=O
InChIKey	InChI=1S/C12H8N2O4/c15-11(16)7-3-1-5-13-9(7)10-8(12(17)18)4-2-6-14-10/h1-6H,(H,15,16)(H,17,18)
InChI	KNVZVRWMLMPTTJ-UHFFFAOYSA-N

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1 - 2-(3-carboxy-2-pyridyl)pyridine-3-carboxylicacid
2 - 2-(3-carboxy-2-pyridyl)pyridine-3-carboxylicacid

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2-(3-carboxy-2-pyridyl)pyridine-3-carboxylicacid