2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-(trifluoromethoxy)phenyl]acetonitrile

C15H7ClF6N2O — CID 56604816

IUPAC2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-(trifluoromethoxy)phenyl]acetonitrile
SMILESN#CC(c1ccc(C(F)(F)F)c(Cl)n1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H7ClF6N2O/c16-13-10(14(17,18)19)5-6-11(24-13)9(7-23)8-3-1-2-4-12(8)25-15(20,21)22/h1-6,9H
InChIKeyUGCBPJAJHICQHW-UHFFFAOYSA-N
MW380.68 g/mol
LogP5.31
Rot. Bonds3

About 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-(trifluoromethoxy)phenyl]acetonitrile

2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-(trifluoromethoxy)phenyl]acetonitrile (PubChem CID 56604816) has the molecular formula C15H7ClF6N2O and a molecular weight of 380.68 g/mol. Its IUPAC name is 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-(trifluoromethoxy)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-(trifluoromethoxy)phenyl]acetonitrile
PubChem CID56604816
Molecular FormulaC15H7ClF6N2O
Molecular Weight380.68 g/mol
Exact Mass380.02
IUPAC Name2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-(trifluoromethoxy)phenyl]acetonitrile
SMILESN#CC(c1ccc(C(F)(F)F)c(Cl)n1)c1ccccc1OC(F)(F)F
InChIInChI=1S/C15H7ClF6N2O/c16-13-10(14(17,18)19)5-6-11(24-13)9(7-23)8-3-1-2-4-12(8)25-15(20,21)22/h1-6,9H
InChIKeyUGCBPJAJHICQHW-UHFFFAOYSA-N
XLogP5.31
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.68
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-(trifluoromethoxy)phenyl]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-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-(trifluoromethoxy)phenyl]acetonitrile?
The IUPAC name of 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-(trifluoromethoxy)phenyl]acetonitrile (CID 56604816) is 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-(trifluoromethoxy)phenyl]acetonitrile.
What is the SMILES notation for 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-(trifluoromethoxy)phenyl]acetonitrile?
The canonical SMILES for 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-(trifluoromethoxy)phenyl]acetonitrile is N#CC(c1ccc(C(F)(F)F)c(Cl)n1)c1ccccc1OC(F)(F)F.
What is the InChIKey of 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-(trifluoromethoxy)phenyl]acetonitrile?
The InChIKey is UGCBPJAJHICQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF6N2O/c16-13-10(14(17,18)19)5-6-11(24-13)9(7-23)8-3-1-2-4-12(8)25-15(20,21)22/h1-6,9H.
What are the key properties of 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-(trifluoromethoxy)phenyl]acetonitrile?
2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-(trifluoromethoxy)phenyl]acetonitrile has a molecular weight of 380.68 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-[2-(trifluoromethoxy)phenyl]acetonitrile is sourced from PubChem (CID 56604816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).