6-Bromo-2-hydroxynicotinic Acid - CAS 1805506-21-1

Catalog:	BB013714
Product Name:	6-Bromo-2-hydroxynicotinic Acid
CAS:	1805506-21-1
Synonyms:	6-bromo-2-oxo-1H-pyridine-3-carboxylic acid; 6-bromo-2-oxo-1H-pyridine-3-carboxylic acid

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Computed Properties

IUPAC Name:	6-bromo-2-oxo-1H-pyridine-3-carboxylic acid
Description:	6-Bromo-2-hydroxynicotinic Acid (CAS# 1805506-21-1 ) is a useful research chemical.
Molecular Weight:	218.00
Molecular Formula:	C6H4BrNO3
Canonical SMILES:	C1=C(C(=O)NC(=C1)Br)C(=O)O
InChI:	InChI=1S/C6H4BrNO3/c7-4-2-1-3(6(10)11)5(9)8-4/h1-2H,(H,8,9)(H,10,11)
InChI Key:	YFHKLJZXZABYPU-UHFFFAOYSA-N

Publication Number	Title	Priority Date
AU-598483-B2	Process for the preparation of 5-chloro and 5-bromo-2- hydroxynicotinic acids	19851126
EP-0225172-A1	Process for the preparation of 5-chloro and 5-bromo-2-hydroxynicotinicacids	19851126
JP-H0639462-B2	Method for producing 5-chloro and 5-bromo-2-hydroxynicotinic acid	19851126
GB-1317239-A	Nicotinic acid derivatives	19701123

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, 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:	3
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:	1.4