2-bromopyridin-4-ylboronic acid

2-bromopyridin-4-ylboronic acid

CAS: 458532-94-0

Formula: C5H5BBrNO2

SMILES: OB(O)C1=CC(Br)=NC=C1

IUPAC: (2-bromopyridin-4-yl)boronic acid

InChI: InChI=1S/C5H5BBrNO2/c7-5-3-4(6(9)10)1-2-8-5/h1-3,9-10H

Composition: C (29.76%), H (2.50%), B (5.36%), Br (39.59%), N (6.94%), O (15.86%)

Molar Mass: 201.81

Atom Count: 15

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	200.959671
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	DFIKFQMGZNTFLI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.91
Topological Polar Surface Area	53.35
Polarizability	15.64
Ring Count	1
Rotatable Bond Count	1

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