5-(3-cyanophenyl)pyridine-3-carboxylic acid

5-(3-cyanophenyl)pyridine-3-carboxylic acid

CAS: 893740-73-3

Formula: C13H8N2O2

SMILES: OC(=O)C1=CC(=CN=C1)C1=CC=CC(=C1)C#N

IUPAC: 5-(3-cyanophenyl)pyridine-3-carboxylic acid

InChI: InChI=1S/C13H8N2O2/c14-6-9-2-1-3-10(4-9)11-5-12(13(16)17)8-15-7-11/h1-5,7-8H,(H,16,17)

Composition: C (69.64%), H (3.60%), N (12.49%), O (14.27%)

Molar Mass: 224.219

Atom Count: 25

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	224.058577506
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	IATGPTBSYAGCRF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.02
Topological Polar Surface Area	73.98
Polarizability	24.53
Ring Count	2
Rotatable Bond Count	2

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