2,4,5,6-tetrachloropyridine-3-carbonitrile

C6Cl4N2 — CID 728674

IUPAC2,4,5,6-tetrachloropyridine-3-carbonitrile
SMILESN#Cc1c(Cl)nc(Cl)c(Cl)c1Cl
InChIInChI=1S/C6Cl4N2/c7-3-2(1-11)5(9)12-6(10)4(3)8
InChIKeyXLORIERFMJHASL-UHFFFAOYSA-N
MW241.89 g/mol
LogP3.57
Rot. Bonds

About 2,4,5,6-tetrachloropyridine-3-carbonitrile

2,4,5,6-tetrachloropyridine-3-carbonitrile (PubChem CID 728674) has the molecular formula C6Cl4N2 and a molecular weight of 241.89 g/mol. Its IUPAC name is 2,4,5,6-tetrachloropyridine-3-carbonitrile.

Molecular Properties

Compound Name2,4,5,6-tetrachloropyridine-3-carbonitrile
PubChem CID728674
Molecular FormulaC6Cl4N2
Molecular Weight241.89 g/mol
Exact Mass239.88
IUPAC Name2,4,5,6-tetrachloropyridine-3-carbonitrile
SMILESN#Cc1c(Cl)nc(Cl)c(Cl)c1Cl
InChIInChI=1S/C6Cl4N2/c7-3-2(1-11)5(9)12-6(10)4(3)8
InChIKeyXLORIERFMJHASL-UHFFFAOYSA-N
XLogP3.57
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.89
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,4,5,6-tetrachloropyridine-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 2,4,5,6-tetrachloropyridine-3-carbonitrile?
The IUPAC name of 2,4,5,6-tetrachloropyridine-3-carbonitrile (CID 728674) is 2,4,5,6-tetrachloropyridine-3-carbonitrile.
What is the SMILES notation for 2,4,5,6-tetrachloropyridine-3-carbonitrile?
The canonical SMILES for 2,4,5,6-tetrachloropyridine-3-carbonitrile is N#Cc1c(Cl)nc(Cl)c(Cl)c1Cl.
What is the InChIKey of 2,4,5,6-tetrachloropyridine-3-carbonitrile?
The InChIKey is XLORIERFMJHASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6Cl4N2/c7-3-2(1-11)5(9)12-6(10)4(3)8.
What are the key properties of 2,4,5,6-tetrachloropyridine-3-carbonitrile?
2,4,5,6-tetrachloropyridine-3-carbonitrile has a molecular weight of 241.89 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5,6-tetrachloropyridine-3-carbonitrile is sourced from PubChem (CID 728674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).