5-bromo-3-hydroxypyridine-2-carboxylic acid

5-bromo-3-hydroxypyridine-2-carboxylic acid

CAS: 1160994-90-0

Formula: C6H4BrNO3

SMILES: OC(=O)C1=NC=C(Br)C=C1O

IUPAC: 5-bromo-3-hydroxypyridine-2-carboxylic acid

InChI: InChI=1S/C6H4BrNO3/c7-3-1-4(9)5(6(10)11)8-2-3/h1-2,9H,(H,10,11)

Composition: C (33.06%), H (1.85%), Br (36.65%), N (6.43%), O (22.02%)

Molar Mass: 218.006

Atom Count: 15

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	216.937456
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	KNYSNNRQXSFAGE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.39
Topological Polar Surface Area	70.42
Polarizability	15.56
Ring Count	1
Rotatable Bond Count	1

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