3-Fluoro-2-(trifluoromethyl)pyridine - CAS 886510-21-0

Name: 3-Fluoro-2-(trifluoromethyl)pyridine
Brand: BOC Sciences
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Catalog:	BB039127
Product Name:	3-Fluoro-2-(trifluoromethyl)pyridine
CAS:	886510-21-0
Synonyms:	3-fluoro-2-(trifluoromethyl)pyridine

Technical Data

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Computed Properties

IUPAC Name:	3-fluoro-2-(trifluoromethyl)pyridine
Description:	3-Fluoro-2-(trifluoromethyl)pyridine (CAS# 886510-21-0) is a reagent used to synthesize thieno-pyrimidine compounds with fungicidal activity. It can also be used to make 3-azabicyclo[3.1.0]hexane-6-carboxylic acid amide derivatives as somatostatin receptor subtype 4 (SSTR4) agonists.
Molecular Weight:	165.09
Molecular Formula:	C6H3F4N
Canonical SMILES:	C1=CC(=C(N=C1)C(F)(F)F)F
InChI:	InChI=1S/C6H3F4N/c7-4-2-1-3-11-5(4)6(8,9)10/h1-3H
InChI Key:	OQNWCFXTGANWQI-UHFFFAOYSA-N
MDL:	MFCD08437598
LogP:	2.23950

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Related Functional Groups

Fluorinated Building Blocks

[1427357-61-6]C6H4FN3
6-Fluoro-[1,2,4]triazolo[1,5-a]pyridine
[1006473-17-1]C13H15F2N3
[(2,3-Difluorophenyl)methyl][(1,3-dimethylpyrazol-4-yl)methyl]amine
[1946823-77-3]C7H9F3N2O
[1,4-Dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanol
[1820736-42-2]C11H11ClF3N3
1-{4-[3-(Trifluoromethyl)-1H-pyrazol-1-yl]phenyl}methanamine hydrochloride
[1011396-69-2]C12H17F2NO2
2,2-Difluoro-N-(4-methoxy-3-(methoxymethyl)benzyl)ethanamine
[1211518-11-4]C4H2ClF3N4
4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine

Other Pyrimidines

[2367-82-0]C6H2F4
1,2,3,5-Tetrafluorobenzene
[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol
[2696462-69-6]C14H23N5O2Si
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[551-62-2]C6H2F4
1,2,3,4-Tetrafluorobenzene
[1160246-50-3]C14H14F3N3O
2-((4-(P-Tolyl)-6-(trifluoromethyl)pyrimidin-2-yl)oxy)ethanamine
[77776-68-2]C6HCl3N4
2,4,8-Trichloropyrimido[5,4-d]pyrimidine

GHS Hazard Statement:	H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P310, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
US-2021047294-A1	Imidazolyl pyrimidinylamine compounds as cdk2 inhibitors	20190814
WO-2021030537-A1	Imidazolyl pyrimidinylamine compounds as cdk2 inhibitors	20190814
US-2020206233-A1	Heterocyclic compounds as mutant idh inhibitors	20181231
WO-2020141439-A1	Heterocyclic compounds as mutant idh inhibitors	20181231
US-2020061041-A1	Piperidinyl-3-(aryloxy)propanamides and propanoates	20180301

Complexity:	133
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.02016175
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	165.02016175
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9