5-Chloro-6-hydroxynicotinic Acid - CAS 54127-63-8

Catalog:	BB028513
Product Name:	5-Chloro-6-hydroxynicotinic Acid
CAS:	54127-63-8
Synonyms:	5-chloro-6-oxo-1H-pyridine-3-carboxylic acid; 5-chloro-6-oxo-1H-pyridine-3-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-chloro-6-oxo-1H-pyridine-3-carboxylic acid
Description:	5-Chloro-6-hydroxynicotinic Acid (CAS# 54127-63-8) is a useful research chemical.
Molecular Weight:	173.55
Molecular Formula:	C6H4ClNO3
Canonical SMILES:	C1=C(C(=O)NC=C1C(=O)O)Cl
InChI:	InChI=1S/C6H4ClNO3/c7-4-1-3(6(10)11)2-8-5(4)9/h1-2H,(H,8,9)(H,10,11)
InChI Key:	OLTRUTPHSBQWAZ-UHFFFAOYSA-N
Boiling Point:	334.6 °C at 760 mmHg
Density:	1.62 g/cm³
MDL:	MFCD00052950
LogP:	1.13880

Publication Number	Title	Priority Date
WO-2021071806-A1	Arylmethylene heterocyclic compounds as kv1.3 potassium shaker channel blockers	20191007
US-10875888-B2	Steroid derivative FXR agonist	20160128
US-2017121314-A1	Heteroaryl substituted heterocyclyl sulfones	20140414
JP-WO2015125892-A1	Protein labeling compounds	20140219
WO-2015125892-A1	Protein labeling compound	20140219

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[927676-51-5]
2-(6-Bromo-3-indolyl)-2-oxoacetic Acid
[438616-66-1]
2-(4-Tert-Butylphenyl)cyclopropanecarbohydrazide

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:	172.9879707
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	172.9879707
Rotatable Bond Count:	1
Topological Polar Surface Area:	66.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3