B-[2-(Hydroxymethyl)-4-pyridinyl]-boronic Acid - CAS 1414973-10-6

Catalog:	BB060998
Product Name:	B-[2-(Hydroxymethyl)-4-pyridinyl]-boronic Acid
CAS:	1414973-10-6
Synonyms:	(2-(hydroxymethyl)pyridin-4-yl)boronic acid; 2-(Hydroxymethyl)pyridine-4-boronic acid; [2-(hydroxymethyl)pyridin-4-yl]boronic acid; B-[2-(Hydroxymethyl)-4-pyridinyl]-boronic Acid

Technical Data

IUPAC Name:	[2-(hydroxymethyl)pyridin-4-yl]boronic acid
Description:	B-[2-(Hydroxymethyl)-4-pyridinyl]-boronic Acid was used in preparation of amidopyrazole inhibitors of interleukin receptor-assocd. kinases which are useful in treating proliferative disorders and cancer.
Molecular Weight:	152.94
Molecular Formula:	C6H8BNO3
Canonical SMILES:	B(C1=CC(=NC=C1)CO)(O)O
InChI:	InChI=1S/C6H8BNO3/c9-4-6-3-5(7(10)11)1-2-8-6/h1-3,9-11H,4H2
InChI Key:	CPVLWUOMTZOQIX-UHFFFAOYSA-N
References:	Mcelroy, W., et al. PCT Int. Appl. (2012), WO 2012129258 A1 20120927.

Complexity:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	153.0597233
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	153.0597233
Rotatable Bond Count:	2
Topological Polar Surface Area:	73.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0