Chemical ID: 7116309

c1cc(cnc1)C(=O)c2cc(cnc2)C(=O)O
Chemical ID:
7116309
Name [?]:
5-(3-pyridylcarbonyl)pyridine-3-carboxylic acid
SMILES [?]:
c1cc(cnc1)C(=O)c2cc(cnc2)C(=O)O
InChi [?]:
InChI=1/C12H8N2O3/c15-11(8-2-1-3-13-5-8)9-4-10(12(16)17)7-14-6-9/h1-7H,(H,16,17)
InChi Info:
AuxInfo=1/1/N:1,2,6,10,4,14,12,3,9,11,7,15,5,13,8,16,17/E:(16,17)/rA:17nCCCCNCCOCCCCNCCOO/rB:s1;d2;s3;d4;d1s5;s3;d7;s7;s9;d10;s11;d12;d9s13;s11;d15;s15;/rC:;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H8N2O3
All Atoms:25
Heavy Atoms:17
Chiral Atoms:0
ZAP Information [?]
Total:6.54445
Area:398.463
Solvation:-3.41713
Coulombic:-44.1462
Bond Count [?]
All:18
Single:10
Double:8
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:228.204
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:0.69
LogP (Chemaxon):-0.62

Name Annotations

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Descriptor Annotations

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