methyl 2-bromo-5-hydroxypyridine-4-carboxylate

methyl 2-bromo-5-hydroxypyridine-4-carboxylate

CAS: 1256810-42-0

Formula: C7H6BrNO3

SMILES: COC(=O)C1=CC(Br)=NC=C1O

IUPAC: methyl 2-bromo-5-hydroxypyridine-4-carboxylate

InChI: InChI=1S/C7H6BrNO3/c1-12-7(11)4-2-6(8)9-3-5(4)10/h2-3,10H,1H3

Composition: C (36.23%), H (2.61%), Br (34.44%), N (6.04%), O (20.69%)

Molar Mass: 232.033

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	230.953106
Formal Charge	0
FSP3	0.14
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ULFRHKCPMNCMPU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.37
Topological Polar Surface Area	59.42
Polarizability	17.6
Ring Count	1
Rotatable Bond Count	2

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