5-Bromo-4-hydroxynicotinic Acid - CAS 1052114-83-6

Catalog:	BB001578
Product Name:	5-Bromo-4-hydroxynicotinic Acid
CAS:	1052114-83-6
Synonyms:	5-bromo-4-oxo-1H-pyridine-3-carboxylic acid; 5-bromo-4-oxo-1H-pyridine-3-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	5-bromo-4-oxo-1H-pyridine-3-carboxylic acid
Description:	5-Bromo-4-hydroxynicotinic Acid (CAS# 1052114-83-6) is a useful research chemical.
Molecular Weight:	218.00
Molecular Formula:	C6H4BrNO3
Canonical SMILES:	C1=C(C(=O)C(=CN1)Br)C(=O)O
InChI:	InChI=1S/C6H4BrNO3/c7-4-2-8-1-3(5(4)9)6(10)11/h1-2H,(H,8,9)(H,10,11)
InChI Key:	GZZLALVERDWLIO-UHFFFAOYSA-N
LogP:	0.83560

Publication Number	Title	Priority Date
CN-110759860-A	Preparation method of 3-methyl formate-4-methoxy-5-cyanopyridine	20180727
CN-110483388-A	A kind of preparation method of nicotinic acid derivates	20180514
CN-110483388-B	Preparation method of nicotinic acid derivative	20180514
US-2019211037-A1	Boronic acid derivatives and their therapeutic uses in antimicrobial treatment	20150317
WO-2016149393-A1	Boronic acid derivatives and therapeutic uses thereof	20150317

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	280
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.93746
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	216.93746
Rotatable Bond Count:	1
Topological Polar Surface Area:	66.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3