Chemical ID: 3968349

c1cc(c(nc1)C(=O)O)C(=O)O
Chemical ID:
3968349
Name [?]:
pyridine-2,3-dicarboxylic acid
SMILES [?]:
c1cc(c(nc1)C(=O)O)C(=O)O
InChi [?]:
InChI=1/C7H5NO4/c9-6(10)4-2-1-3-8-5(4)7(11)12/h1-3H,(H,9,10)(H,11,12)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,4,10,7,5,11,12,8,9/E:(9,10)(11,12)/rA:12nCCCCNCCOOCOO/rB:s1;d2;s3;d4;d1s5;s4;d7;s7;s3;d10;s10;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C7H5NO4
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:4.85779
Area:310.308
Solvation:-2.89992
Coulombic:-59.4376
Bond Count [?]
All:12
Single:7
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:167.119
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:-2.08
LogP (Chemaxon):-0.88

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Descriptor Annotations

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