5-Chloro-2-hydroxynicotinic Acid - CAS 38076-80-1

Catalog:	BB023526
Product Name:	5-Chloro-2-hydroxynicotinic Acid
CAS:	38076-80-1
Synonyms:	5-chloro-2-oxo-1H-pyridine-3-carboxylic acid; 5-chloro-2-oxo-1H-pyridine-3-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-chloro-2-oxo-1H-pyridine-3-carboxylic acid
Description:	5-Chloro-2-hydroxynicotinic Acid (CAS# 38076-80-1) is a useful research chemical.
Molecular Weight:	173.55
Molecular Formula:	C6H4ClNO3
Canonical SMILES:	C1=C(C(=O)NC=C1Cl)C(=O)O
InChI:	InChI=1S/C6H4ClNO3/c7-3-1-4(6(10)11)5(9)8-2-3/h1-2H,(H,8,9)(H,10,11)
InChI Key:	XBHXNMLFJZTSAS-UHFFFAOYSA-N
Boiling Point:	343.8 °C at 760 mmHg
Density:	1.62 g/cm³
Appearance:	White to off white powder
MDL:	MFCD00204158
LogP:	1.13880

Publication Number	Title	Priority Date
WO-2021197276-A1	Amide compounds and uses thereof	20200330
CN-111057095-A	Tricyclohexyltin 5-chloro-2-hydroxypyridine-3-formate complex and preparation method and application thereof	20191226
JP-WO2018066532-A1	Pharmaceutical compositions containing morphinan derivatives and their use in analgesics	20161003
WO-2018066532-A1	Pharmaceutical composition containing morphinan derivative and use thereof as analgesic	20161003
CA-3040445-A1	Use of morphinan derivative for therapeutic treatment of opioid .delta. receptor agonist-related disease	20160916

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid

GHS Hazard Statement:	H302+H312+H332 (14.29%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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:	0.8