2,6-dichloro-4-(trifluoromethyl)pyridine-3-carbonitrile

C7HCl2F3N2 — CID 2736726

IUPAC2,6-dichloro-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(Cl)nc1Cl
InChIInChI=1S/C7HCl2F3N2/c8-5-1-4(7(10,11)12)3(2-13)6(9)14-5/h1H
InChIKeyWRXXBTBGBXYHSG-UHFFFAOYSA-N
MW241.00 g/mol
LogP3.28
Rot. Bonds

About 2,6-dichloro-4-(trifluoromethyl)pyridine-3-carbonitrile

2,6-dichloro-4-(trifluoromethyl)pyridine-3-carbonitrile (PubChem CID 2736726) has the molecular formula C7HCl2F3N2 and a molecular weight of 241.00 g/mol. Its IUPAC name is 2,6-dichloro-4-(trifluoromethyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dichloro-4-(trifluoromethyl)pyridine-3-carbonitrile
PubChem CID2736726
Molecular FormulaC7HCl2F3N2
Molecular Weight241.00 g/mol
Exact Mass239.95
IUPAC Name2,6-dichloro-4-(trifluoromethyl)pyridine-3-carbonitrile
SMILESN#Cc1c(C(F)(F)F)cc(Cl)nc1Cl
InChIInChI=1S/C7HCl2F3N2/c8-5-1-4(7(10,11)12)3(2-13)6(9)14-5/h1H
InChIKeyWRXXBTBGBXYHSG-UHFFFAOYSA-N
XLogP3.28
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.00
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-4-(trifluoromethyl)pyridine-3-carbonitrile 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-dichloro-4-(trifluoromethyl)pyridine-3-carbonitrile?
The IUPAC name of 2,6-dichloro-4-(trifluoromethyl)pyridine-3-carbonitrile (CID 2736726) is 2,6-dichloro-4-(trifluoromethyl)pyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dichloro-4-(trifluoromethyl)pyridine-3-carbonitrile?
The canonical SMILES for 2,6-dichloro-4-(trifluoromethyl)pyridine-3-carbonitrile is N#Cc1c(C(F)(F)F)cc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloro-4-(trifluoromethyl)pyridine-3-carbonitrile?
The InChIKey is WRXXBTBGBXYHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HCl2F3N2/c8-5-1-4(7(10,11)12)3(2-13)6(9)14-5/h1H.
What are the key properties of 2,6-dichloro-4-(trifluoromethyl)pyridine-3-carbonitrile?
2,6-dichloro-4-(trifluoromethyl)pyridine-3-carbonitrile has a molecular weight of 241.00 g/mol, XLogP of 3.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(trifluoromethyl)pyridine-3-carbonitrile is sourced from PubChem (CID 2736726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).