6-(hydroxymethyl)pyridin-3-ylboronic acid

6-(hydroxymethyl)pyridin-3-ylboronic acid

CAS: 913835-98-0

Formula: C6H8BNO3

SMILES: OCC1=NC=C(C=C1)B(O)O

IUPAC: [6-(hydroxymethyl)pyridin-3-yl]boronic acid

InChI: InChI=1S/C6H8BNO3/c9-4-6-2-1-5(3-8-6)7(10)11/h1-3,9-11H,4H2

Composition: C (47.12%), H (5.27%), B (7.07%), N (9.16%), O (31.38%)

Molar Mass: 152.94

Atom Count: 19

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	153.059723
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	MSUQKXAJTUAESD-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	34.74
Topological Polar Surface Area	73.58
Polarizability	15.12
Ring Count	1
Rotatable Bond Count	2

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