2-(2,6-dichlorophenyl)-2-[6-(4-fluorophenyl)-2-pyridinyl]acetonitrile

C19H11Cl2FN2 — CID 70672181

IUPAC2-(2,6-dichlorophenyl)-2-[6-(4-fluorophenyl)-2-pyridinyl]acetonitrile
SMILESN#CC(c1cccc(-c2ccc(F)cc2)n1)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H11Cl2FN2/c20-15-3-1-4-16(21)19(15)14(11-23)18-6-2-5-17(24-18)12-7-9-13(22)10-8-12/h1-10,14H
InChIKeyACXMJBLAADDHIS-UHFFFAOYSA-N
MW357.22 g/mol
LogP5.85
Rot. Bonds3

About 2-(2,6-dichlorophenyl)-2-[6-(4-fluorophenyl)-2-pyridinyl]acetonitrile

2-(2,6-dichlorophenyl)-2-[6-(4-fluorophenyl)-2-pyridinyl]acetonitrile (PubChem CID 70672181) has the molecular formula C19H11Cl2FN2 and a molecular weight of 357.22 g/mol. Its IUPAC name is 2-(2,6-dichlorophenyl)-2-[6-(4-fluorophenyl)-2-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-(2,6-dichlorophenyl)-2-[6-(4-fluorophenyl)-2-pyridinyl]acetonitrile
PubChem CID70672181
Molecular FormulaC19H11Cl2FN2
Molecular Weight357.22 g/mol
Exact Mass356.03
IUPAC Name2-(2,6-dichlorophenyl)-2-[6-(4-fluorophenyl)-2-pyridinyl]acetonitrile
SMILESN#CC(c1cccc(-c2ccc(F)cc2)n1)c1c(Cl)cccc1Cl
InChIInChI=1S/C19H11Cl2FN2/c20-15-3-1-4-16(21)19(15)14(11-23)18-6-2-5-17(24-18)12-7-9-13(22)10-8-12/h1-10,14H
InChIKeyACXMJBLAADDHIS-UHFFFAOYSA-N
XLogP5.85
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.22
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2,6-dichlorophenyl)-2-[6-(4-fluorophenyl)-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-(2,6-dichlorophenyl)-2-[6-(4-fluorophenyl)-2-pyridinyl]acetonitrile?
The IUPAC name of 2-(2,6-dichlorophenyl)-2-[6-(4-fluorophenyl)-2-pyridinyl]acetonitrile (CID 70672181) is 2-(2,6-dichlorophenyl)-2-[6-(4-fluorophenyl)-2-pyridinyl]acetonitrile.
What is the SMILES notation for 2-(2,6-dichlorophenyl)-2-[6-(4-fluorophenyl)-2-pyridinyl]acetonitrile?
The canonical SMILES for 2-(2,6-dichlorophenyl)-2-[6-(4-fluorophenyl)-2-pyridinyl]acetonitrile is N#CC(c1cccc(-c2ccc(F)cc2)n1)c1c(Cl)cccc1Cl.
What is the InChIKey of 2-(2,6-dichlorophenyl)-2-[6-(4-fluorophenyl)-2-pyridinyl]acetonitrile?
The InChIKey is ACXMJBLAADDHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11Cl2FN2/c20-15-3-1-4-16(21)19(15)14(11-23)18-6-2-5-17(24-18)12-7-9-13(22)10-8-12/h1-10,14H.
What are the key properties of 2-(2,6-dichlorophenyl)-2-[6-(4-fluorophenyl)-2-pyridinyl]acetonitrile?
2-(2,6-dichlorophenyl)-2-[6-(4-fluorophenyl)-2-pyridinyl]acetonitrile has a molecular weight of 357.22 g/mol, XLogP of 5.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dichlorophenyl)-2-[6-(4-fluorophenyl)-2-pyridinyl]acetonitrile is sourced from PubChem (CID 70672181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).