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2-Fluoro-4-(trifluoromethyl)pyridine-3-carboxylic acid

2-Fluoro-4-(trifluoromethyl)pyridine-3-carboxylic acid - CAS 1040681-74-0

Catalog:	BB001317
Product Name:	2-Fluoro-4-(trifluoromethyl)pyridine-3-carboxylic acid
CAS:	1040681-74-0
Synonyms:	2-fluoro-4-(trifluoromethyl)pyridine-3-carboxylic acid

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-fluoro-4-(trifluoromethyl)pyridine-3-carboxylic acid
Description:	2-Fluoro-4-(trifluoromethyl)pyridine-3-carboxylic acid (CAS# 1040681-74-0) is a useful research chemical.
Molecular Weight:	209.10
Molecular Formula:	C7H3F4NO2
Canonical SMILES:	C1=CN=C(C(=C1C(F)(F)F)C(=O)O)F
InChI:	InChI=1S/C7H3F4NO2/c8-5-4(6(13)14)3(1-2-12-5)7(9,10)11/h1-2H,(H,13,14)
InChI Key:	ABXMDMDQUVWALB-UHFFFAOYSA-N
Purity:	95 %
Appearance:	Solid
Storage:	Inert atmosphere, Room Temperature
MDL:	MFCD10687403
LogP:	1.93770

Publication Number	Title	Priority Date
EP-2970124-B1	Mitochondrial aldehyde dehydrogenase-2 modulators and methods of use thereof	20130314
US-10227304-B2	Mitochondrial aldehyde dehydrogenase-2 modulators and methods of use thereof	20130314
US-2016107996-A1	Mitochondrial Aldehyde Dehyrogenase-2 Modulators and Methods of Use Thereof	20130314
US-2017320828-A1	Mitochondrial Aldehyde Dehydrogenase-2 Modulators and Methods of Use Thereof	20130314
US-9670162-B2	Mitochondrial aldehyde dehyrogenase-2 modulators and methods of use thereof	20130314

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Related Functional Groups

Fluorinated Building Blocks

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[479552-94-8]
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[2454490-85-6]
2-(7,8-Difluoro-1-naphthyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
[865774-78-3]
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[452-76-6]
2,4-Difluorotoluene
[1597-32-6]
2-Amino-6-fluoropyridine

Other Pyrimidines

[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1183749-69-0]
2-(pyrimidin-2-yloxy)phenol
[452-76-6]
2,4-Difluorotoluene
[1597-32-6]
2-Amino-6-fluoropyridine
[2696462-69-6]
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[1632145-37-9]
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione

Pyridines

[104496-91-5]
2-(Pyridin-2-ylthio)acetohydrazide
[942206-23-7]
2,5-Dichloro-3-iodopyridine
[1198098-45-1]
3-Allyl-5-methyl-1H-pyrrolo[2,3-b]pyridine
[1122-43-6]
3-Hydroxy-2,6-dimethylpyridine
[2241983-13-9]
5-[(8S,9S,13S,14S)-3-Methoxy-13-methyl-7,8,9,11,12,13,14,15-octahydro-6H-cyclopenta[a]phenanthren-17-yl]pyridine-2-D
[19840-44-9]
5-Bromo-1,6-dihydro-6-oxo-3-pyridinecarbonitrile

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:	230
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	209.00999099
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	209.00999099
Rotatable Bond Count:	1
Topological Polar Surface Area:	50.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7