3-Chloro-2-fluoroisonicotinic Acid - CAS 741683-19-2

Catalog:	BB035002
Product Name:	3-Chloro-2-fluoroisonicotinic Acid
CAS:	741683-19-2
Synonyms:	3-chloro-2-fluoro-4-pyridinecarboxylic acid; 3-chloro-2-fluoropyridine-4-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-chloro-2-fluoropyridine-4-carboxylic acid
Description:	3-Chloro-2-fluoroisonicotinic Acid (CAS# 741683-19-2) is a useful research chemical.
Molecular Weight:	175.54
Molecular Formula:	C6H3ClFNO2
Canonical SMILES:	C1=CN=C(C(=C1C(=O)O)Cl)F
InChI:	InChI=1S/C6H3ClFNO2/c7-4-3(6(10)11)1-2-9-5(4)8/h1-2H,(H,10,11)
InChI Key:	PYLURACOOBPBPM-UHFFFAOYSA-N
Boiling Point:	404.1 °C at 760 mmHg
Density:	1.576 g/cm³
LogP:	1.57230

Publication Number	Title	Priority Date
TW-202028179-A	Amino acid compounds and methods of use	20181008
EP-2988748-A1	Hydroxy-substituted orexin receptor antagonists	20130423
US-2016068510-A1	Hydroxy-substituted orexin receptor antagonists	20130423
US-9725434-B2	Hydroxy-substituted orexin receptor antagonists	20130423
WO-2014176142-A1	Hydroxy-substituted orexin receptor antagonists	20130423

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[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
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[17746-05-3]
Undecanoyl chloride
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

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:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.9836342
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	174.9836342
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4