5-chloro-6-methoxypyridin-3-ylboronic acid

5-chloro-6-methoxypyridin-3-ylboronic acid

CAS: 942438-89-3

Formula: C6H7BClNO3

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

IUPAC: (5-chloro-6-methoxypyridin-3-yl)boronic acid

InChI: InChI=1S/C6H7BClNO3/c1-12-6-5(8)2-4(3-9-6)7(10)11/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	LOLPLMDQLOJSDH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.03
Topological Polar Surface Area	62.58
Polarizability	17.16
Ring Count	1
Rotatable Bond Count	2

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