3-(Trifluoromethyl)isonicotinic Acid - CAS 590371-38-3

Name: 3-(Trifluoromethyl)isonicotinic Acid
Brand: BOC Sciences
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Catalog:	BB030242
Product Name:	3-(Trifluoromethyl)isonicotinic Acid
CAS:	590371-38-3
Synonyms:	3-(trifluoromethyl)-4-pyridinecarboxylic acid; 3-(trifluoromethyl)pyridine-4-carboxylic acid

Technical Data

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Computed Properties

IUPAC Name:	3-(trifluoromethyl)pyridine-4-carboxylic acid
Description:	3-(Trifluoromethyl)isonicotinic Acid (CAS# 590371-38-3) is a useful research chemical.
Molecular Weight:	191.11
Molecular Formula:	C7H4F3NO2
Canonical SMILES:	C1=CN=CC(=C1C(=O)O)C(F)(F)F
InChI:	InChI=1S/C7H4F3NO2/c8-7(9,10)5-3-11-2-1-4(5)6(12)13/h1-3H,(H,12,13)
InChI Key:	FBOSFEOQEZQFOC-UHFFFAOYSA-N
Boiling Point:	352.3 °C at 760 mmHg
Density:	1.484 g/cm³
Appearance:	Off-white solid
LogP:	1.79860

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Related Functional Groups

Carbonyl Compounds

[87-88-7]C6H2Cl2O4
Chloranilic acid
[55441-25-3]C8H7N3O
1-(2-Cyanophenyl)urea
[1035840-45-9]C14H16N2O4
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1431966-64-1]C10H17ClN2O2S
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride

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

Publication Number	Title	Priority Date
WO-2021032687-A1	Antimalarial hexahydropyrimidine analogues	20190819
WO-2021003398-A1	Inhibitors of low molecular weight protein tyrosine phosphatase (lmptp) and uses thereof	20190703
WO-2020227020-A1	Inhibitors of raf kinases	20190503
EP-3814326-A1	Dihydropyrimidine derivatives and uses thereof in the treatment of hbv infection or of hbv-induced diseases	20180626
WO-2019152374-A1	Processes for preparing (1 -(3-fluoro-2-(trifluoromethyl)isonicotinyl)piperidine-4-one)	20180130

Complexity:	204
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.01941286
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	191.01941286
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3