6-Methylpyridine-2-boronic Acid - CAS 372963-50-3

Catalog:	BB023250
Product Name:	6-Methylpyridine-2-boronic Acid
CAS:	372963-50-3
Synonyms:	(6-methyl-2-pyridinyl)boronic acid; (6-methylpyridin-2-yl)boronic acid

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Computed Properties

IUPAC Name:	(6-methylpyridin-2-yl)boronic acid
Description:	6-Methylpyridine-2-boronic Acid (CAS# 372963-50-3) is a useful research chemical.
Molecular Weight:	136.94
Molecular Formula:	C6H8NO2B
Canonical SMILES:	B(C1=NC(=CC=C1)C)(O)O
InChI:	InChI=1S/C6H8BNO2/c1-5-3-2-4-6(8-5)7(9)10/h2-4,9-10H,1H3
InChI Key:	XHSGIZRXEBIOFC-UHFFFAOYSA-N
Boiling Point:	311.2 °C at 760 mmHg
Density:	1.18 g/cm³
LogP:	-0.93020

Publication Number	Title	Priority Date
WO-2021057256-A1	Heterocyclic nitrogen compound, pharmaceutical composition containing same, preparation method therefor and use thereof	20190929
CN-112119065-A	Benzodiazacyclo compound, preparation method and application thereof	20180713
US-2020031834-A1	Therapeutic heterocyclic compounds	20180706
WO-2020010223-A1	Therapeutic heterocyclic compounds	20180706
AU-2019297428-A1	Therapeutic heterocyclic compounds	20180706

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	137.0648087
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	137.0648087
Rotatable Bond Count:	1
Topological Polar Surface Area:	53.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0