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2-Chloro-3-(trifluoromethyl)isonicotinic Acid

2-Chloro-3-(trifluoromethyl)isonicotinic Acid - CAS 1227587-24-7

Catalog:	BB005497
Product Name:	2-Chloro-3-(trifluoromethyl)isonicotinic Acid
CAS:	1227587-24-7
Synonyms:	2-chloro-3-(trifluoromethyl)-4-pyridinecarboxylic acid; 2-chloro-3-(trifluoromethyl)pyridine-4-carboxylic acid

Technical Data

Patents

Computed Properties

IUPAC Name:	2-chloro-3-(trifluoromethyl)pyridine-4-carboxylic acid
Description:	2-Chloro-3-(trifluoromethyl)isonicotinic Acid (CAS# 1227587-24-7) is a useful research chemical.
Molecular Weight:	225.55
Molecular Formula:	C7H3ClF3NO2
Canonical SMILES:	C1=CN=C(C(=C1C(=O)O)C(F)(F)F)Cl
InChI:	InChI=1S/C7H3ClF3NO2/c8-5-4(7(9,10)11)3(6(13)14)1-2-12-5/h1-2H,(H,13,14)
InChI Key:	DIPOFUPESWIQSO-UHFFFAOYSA-N
LogP:	2.45200

Publication Number	Title	Priority Date
EP-2643320-B1	1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS	20101108
EP-2661435-B1	1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS	20101108
US-2013252952-A1	1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS	20101108
US-2014155393-A1	1,2,4-TRIAZOLO[4,3-a]PYRIDINE DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF MGLUR2 RECEPTORS	20101108
US-8993591-B2	1,2,4-triazolo[4,3-a] pyridine derivatives and their use as positive allosteric modulators of MGLUR2 receptors	20101108

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[17746-05-3]
Undecanoyl chloride
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid

Complexity:	234
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.9804405
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	224.9804405
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2