2-(pyridine-3-amido)benzoic acid

2-(pyridine-3-amido)benzoic acid

CAS: 1566201

Formula: C13H10N2O3

SMILES: OC(=O)C1=C(NC(=O)C2=CC=CN=C2)C=CC=C1

IUPAC: 2-(pyridine-3-amido)benzoic acid

InChI: InChI=1S/C13H10N2O3/c16-12(9-4-3-7-14-8-9)15-11-6-2-1-5-10(11)13(17)18/h1-8H,(H,15,16)(H,17,18)

Composition: C (64.46%), H (4.16%), N (11.56%), O (19.81%)

Molar Mass: 242.234

Atom Count: 28

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	242.06914219
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	JYBNOUMWGUMFBK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.69
Topological Polar Surface Area	79.29
Polarizability	24.39
Ring Count	2
Rotatable Bond Count	3

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