3-bromopyridine-4-carboxylic acid

3-bromopyridine-4-carboxylic acid

CAS: 13959-02-9

Formula: C6H4BrNO2

SMILES: OC(=O)C1=CC=NC=C1Br

IUPAC: 3-bromopyridine-4-carboxylic acid

InChI: InChI=1S/C6H4BrNO2/c7-5-3-8-2-1-4(5)6(9)10/h1-3H,(H,9,10)

Composition: C (35.68%), H (2.00%), Br (39.56%), N (6.93%), O (15.84%)

Molar Mass: 202.007

Atom Count: 14

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	200.942541
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	AVXWWBFBRTXBRM-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.78
Topological Polar Surface Area	50.19
Polarizability	14.83
Ring Count	1
Rotatable Bond Count	1

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