2-(4-chlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]acetonitrile

C14H8ClF3N2 — CID 56604850

IUPAC2-(4-chlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CC(c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H8ClF3N2/c15-11-4-1-9(2-5-11)12(7-19)13-6-3-10(8-20-13)14(16,17)18/h1-6,8,12H
InChIKeySOADGEAHXFZKLI-UHFFFAOYSA-N
MW296.68 g/mol
LogP4.41
Rot. Bonds2

About 2-(4-chlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]acetonitrile

2-(4-chlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]acetonitrile (PubChem CID 56604850) has the molecular formula C14H8ClF3N2 and a molecular weight of 296.68 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-(4-chlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]acetonitrile
PubChem CID56604850
Molecular FormulaC14H8ClF3N2
Molecular Weight296.68 g/mol
Exact Mass296.03
IUPAC Name2-(4-chlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]acetonitrile
SMILESN#CC(c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C14H8ClF3N2/c15-11-4-1-9(2-5-11)12(7-19)13-6-3-10(8-20-13)14(16,17)18/h1-6,8,12H
InChIKeySOADGEAHXFZKLI-UHFFFAOYSA-N
XLogP4.41
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.68
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-(4-chlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]acetonitrile (CID 56604850) is 2-(4-chlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-(4-chlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-(4-chlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]acetonitrile is N#CC(c1ccc(Cl)cc1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 2-(4-chlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]acetonitrile?
The InChIKey is SOADGEAHXFZKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2/c15-11-4-1-9(2-5-11)12(7-19)13-6-3-10(8-20-13)14(16,17)18/h1-6,8,12H.
What are the key properties of 2-(4-chlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]acetonitrile?
2-(4-chlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]acetonitrile has a molecular weight of 296.68 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 56604850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).