2-methylpyridin-4-ylboronic acid hydrochloride

2-methylpyridin-4-ylboronic acid hydrochloride

CAS: 861905-97-7

Formula: C6H9BClNO2

SMILES: Cl.CC1=NC=CC(=C1)B(O)O

IUPAC: (2-methylpyridin-4-yl)boronic acid hydrochloride

InChI: InChI=1S/C6H8BNO2.ClH/c1-5-4-6(7(9)10)2-3-8-5;/h2-4,9-10H,1H3;1H

Composition: C (41.56%), H (5.23%), B (6.23%), Cl (20.44%), N (8.08%), O (18.45%)

Molar Mass: 173.4

Atom Count: 20

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	173.041486
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	RRPKICOTZKTBAG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	33.04
Topological Polar Surface Area	53.35
Polarizability	14.4
Ring Count	1
Rotatable Bond Count	1

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