6-phenylpyridine-3-carboxylic acid

6-phenylpyridine-3-carboxylic acid

CAS: 29051-44-3

Formula: C12H9NO2

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

IUPAC: 6-phenylpyridine-3-carboxylic acid

InChI: InChI=1S/C12H9NO2/c14-12(15)10-6-7-11(13-8-10)9-4-2-1-3-5-9/h1-8H,(H,14,15)

Composition: C (72.35%), H (4.55%), N (7.03%), O (16.06%)

Molar Mass: 199.209

Atom Count: 24

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	199.063328534
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	DLFLQXUYRFIFOK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.92
Topological Polar Surface Area	50.19
Polarizability	22.72
Ring Count	2
Rotatable Bond Count	2

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