3-bromo-2-methoxypyridin-4-ylboronic acid

3-bromo-2-methoxypyridin-4-ylboronic acid

CAS: 1072946-00-9

Formula: C6H7BBrNO3

SMILES: COC1=NC=CC(B(O)O)=C1Br

IUPAC: (3-bromo-2-methoxypyridin-4-yl)boronic acid

InChI: InChI=1S/C6H7BBrNO3/c1-12-6-5(8)4(7(10)11)2-3-9-6/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	QOSVTTKSAVKBFO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.85
Topological Polar Surface Area	62.58
Polarizability	18.17
Ring Count	1
Rotatable Bond Count	2

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