4-methoxypyridin-3-ylboronic acid hydrochloride

4-methoxypyridin-3-ylboronic acid hydrochloride

CAS: 874959-97-4

Formula: C6H9BClNO3

SMILES: Cl.COC1=CC=NC=C1B(O)O

IUPAC: (4-methoxypyridin-3-yl)boronic acid hydrochloride

InChI: InChI=1S/C6H8BNO3.ClH/c1-11-6-2-3-8-4-5(6)7(9)10;/h2-4,9-10H,1H3;1H

Composition: C (38.05%), H (4.79%), B (5.71%), Cl (18.72%), N (7.40%), O (25.34%)

Molar Mass: 189.4

Atom Count: 21

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	189.036401
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	JLONCHBPEIKTEA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	34.91
Topological Polar Surface Area	62.58
Polarizability	15.18
Ring Count	1
Rotatable Bond Count	2

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