2-chloro-6-methylpyridin-4-ylboronic acid

2-chloro-6-methylpyridin-4-ylboronic acid

CAS: 1320397-15-6

Formula: C6H7BClNO2

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

IUPAC: (2-chloro-6-methylpyridin-4-yl)boronic acid

InChI: InChI=1S/C6H7BClNO2/c1-4-2-5(7(10)11)3-6(8)9-4/h2-3,10-11H,1H3

Composition: C (42.05%), H (4.12%), B (6.31%), Cl (20.68%), N (8.17%), O (18.67%)

Molar Mass: 171.39

Atom Count: 18

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	171.025836
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	OUDHMBLTDQMBOV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	38.9
Topological Polar Surface Area	53.35
Polarizability	16.38
Ring Count	1
Rotatable Bond Count	1

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