2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile

C14H6Cl3F3N2 — CID 3758411

IUPAC2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile
SMILESN#CC(c1ccc(Cl)cc1Cl)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H6Cl3F3N2/c15-8-1-2-9(11(16)4-8)10(5-21)13-12(17)3-7(6-22-13)14(18,19)20/h1-4,6,10H
InChIKeyPRVJSXWJRABXHX-UHFFFAOYSA-N
MW365.57 g/mol
LogP5.72
Rot. Bonds2

About 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile (PubChem CID 3758411) has the molecular formula C14H6Cl3F3N2 and a molecular weight of 365.57 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile
PubChem CID3758411
Molecular FormulaC14H6Cl3F3N2
Molecular Weight365.57 g/mol
Exact Mass363.95
IUPAC Name2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile
SMILESN#CC(c1ccc(Cl)cc1Cl)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C14H6Cl3F3N2/c15-8-1-2-9(11(16)4-8)10(5-21)13-12(17)3-7(6-22-13)14(18,19)20/h1-4,6,10H
InChIKeyPRVJSXWJRABXHX-UHFFFAOYSA-N
XLogP5.72
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.57
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-thiophen-2-ylacetonitrile
CID 4553007
2-amino-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetonitrile;hydrochloride
CID 23078241
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroxypropanenitrile
CID 171870889
[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-cyanomethyl]phenyl] acetate
CID 3818928
[4-[(R)-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-cyanomethyl]phenyl] methanesulfonate
CID 40542936
2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile
CID 56604864
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-cyanoacetate
CID 152766144
4-[2-chloro-5-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]-2-(2,4-dichlorophenyl)-4-methyl-3-oxopentanenitrile
CID 22904848
2-(2,4-dichlorophenyl)-2-pyrazin-2-ylacetonitrile
CID 83738665
2-(4-chlorophenyl)-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethanamine
CID 170875466
3-chloro-2-[(4-chlorophenyl)-methoxymethyl]-5-(trifluoromethyl)pyridine
CID 18327281
(2S)-2-(3,5-dichloro-2-pyridinyl)-2-phenylacetonitrile
CID 26793141

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile (CID 3758411) is 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile is N#CC(c1ccc(Cl)cc1Cl)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile?
The InChIKey is PRVJSXWJRABXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6Cl3F3N2/c15-8-1-2-9(11(16)4-8)10(5-21)13-12(17)3-7(6-22-13)14(18,19)20/h1-4,6,10H.
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile?
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile has a molecular weight of 365.57 g/mol, XLogP of 5.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-(2,4-dichlorophenyl)acetonitrile is sourced from PubChem (CID 3758411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).