2-bromo-4-phenylpyridine-3-carboxylic acid

2-bromo-4-phenylpyridine-3-carboxylic acid

CAS: 147078-79-3

Formula: C12H8BrNO2

SMILES: OC(=O)C1=C(C=CN=C1Br)C1=CC=CC=C1

IUPAC: 2-bromo-4-phenylpyridine-3-carboxylic acid

InChI: InChI=1S/C12H8BrNO2/c13-11-10(12(15)16)9(6-7-14-11)8-4-2-1-3-5-8/h1-7H,(H,15,16)

Composition: C (51.83%), H (2.90%), Br (28.73%), N (5.04%), O (11.51%)

Molar Mass: 278.105

Atom Count: 24

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	276.973842
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	VKPBLUQYGASBMQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.76
Topological Polar Surface Area	50.19
Polarizability	25.49
Ring Count	2
Rotatable Bond Count	2

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