2-chloro-3-methoxypyridin-4-ylboronic acid

2-chloro-3-methoxypyridin-4-ylboronic acid

CAS: 2096339-60-3

Formula: C6H7BClNO3

SMILES: COC1=C(C=CN=C1Cl)B(O)O

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

InChI: InChI=1S/C6H7BClNO3/c1-12-5-4(7(10)11)2-3-9-6(5)8/h2-3,10-11H,1H3

Composition: C (38.46%), H (3.77%), B (5.77%), Cl (18.92%), N (7.47%), O (25.61%)

Molar Mass: 187.39

Atom Count: 19

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	187.020751
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	LJJVKTFOWKKYPR-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.78
Topological Polar Surface Area	62.58
Polarizability	17.2
Ring Count	1
Rotatable Bond Count	2

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