2-bromo-5-methoxypyridin-4-ylboronic acid

2-bromo-5-methoxypyridin-4-ylboronic acid

CAS: 1072952-48-7

Formula: C6H7BBrNO3

SMILES: COC1=CN=C(Br)C=C1B(O)O

IUPAC: (2-bromo-5-methoxypyridin-4-yl)boronic acid

InChI: InChI=1S/C6H7BBrNO3/c1-12-5-3-9-6(8)2-4(5)7(10)11/h2-3,10-11H,1H3

Composition: C (31.08%), H (3.04%), B (4.66%), Br (34.47%), N (6.04%), O (20.70%)

Molar Mass: 231.84

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	230.970236
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	SCSULHVJKCOJPH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.37
Topological Polar Surface Area	62.58
Polarizability	18.2
Ring Count	1
Rotatable Bond Count	2

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