5-(2,4,6-trichlorophenyl)pyridine-3-carbonitrile

C12H5Cl3N2 — CID 134636778

IUPAC5-(2,4,6-trichlorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C12H5Cl3N2/c13-9-2-10(14)12(11(15)3-9)8-1-7(4-16)5-17-6-8/h1-3,5-6H
InChIKeyCSKIJBGGMCOWHM-UHFFFAOYSA-N
MW283.55 g/mol
LogP4.58
Rot. Bonds1

About 5-(2,4,6-trichlorophenyl)pyridine-3-carbonitrile

5-(2,4,6-trichlorophenyl)pyridine-3-carbonitrile (PubChem CID 134636778) has the molecular formula C12H5Cl3N2 and a molecular weight of 283.55 g/mol. Its IUPAC name is 5-(2,4,6-trichlorophenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-(2,4,6-trichlorophenyl)pyridine-3-carbonitrile
PubChem CID134636778
Molecular FormulaC12H5Cl3N2
Molecular Weight283.55 g/mol
Exact Mass281.95
IUPAC Name5-(2,4,6-trichlorophenyl)pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2c(Cl)cc(Cl)cc2Cl)c1
InChIInChI=1S/C12H5Cl3N2/c13-9-2-10(14)12(11(15)3-9)8-1-7(4-16)5-17-6-8/h1-3,5-6H
InChIKeyCSKIJBGGMCOWHM-UHFFFAOYSA-N
XLogP4.58
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.55
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-(2,4,6-trichlorophenyl)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

Related Compounds

5-chloropyridine-3-carbonitrile
CID 12645070
5-(2-chloropyrimidin-5-yl)pyridine-3-carbonitrile
CID 138673708
5-(3-chlorophenyl)pyridine-3-carbonitrile
CID 71303498
3,5-bis(2,4,6-trichlorophenyl)pyridine-4-carbonitrile
CID 134635786
5-(4-acetyl-3-chlorophenyl)pyridine-3-carbonitrile
CID 82782660
5-(6-chloro-2-propan-2-ylpyrimidin-4-yl)pyridine-3-carbonitrile
CID 80952747
5-[3-chloro-4-[1-(ethylamino)ethyl]phenyl]pyridine-3-carbonitrile
CID 82782238
5-[7-(5-cyano-3-pyridinyl)dibenzofuran-3-yl]pyridine-3-carbonitrile
CID 118397843
5-[4-[11-[4-(5-cyano-3-pyridinyl)phenyl]triphenylen-2-yl]phenyl]pyridine-3-carbonitrile
CID 126542126
5-(5-iodothiophen-2-yl)pyridine-3-carbonitrile
CID 59982887
5-(2-chloro-1H-pyridazin-6-yl)pyridine-3-carbonitrile
CID 90044919
2,3-dichloro-5-(2,4,6-trichlorophenyl)pyridine
CID 118815218

Frequently Asked Questions

What is the IUPAC name of 5-(2,4,6-trichlorophenyl)pyridine-3-carbonitrile?
The IUPAC name of 5-(2,4,6-trichlorophenyl)pyridine-3-carbonitrile (CID 134636778) is 5-(2,4,6-trichlorophenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 5-(2,4,6-trichlorophenyl)pyridine-3-carbonitrile?
The canonical SMILES for 5-(2,4,6-trichlorophenyl)pyridine-3-carbonitrile is N#Cc1cncc(-c2c(Cl)cc(Cl)cc2Cl)c1.
What is the InChIKey of 5-(2,4,6-trichlorophenyl)pyridine-3-carbonitrile?
The InChIKey is CSKIJBGGMCOWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5Cl3N2/c13-9-2-10(14)12(11(15)3-9)8-1-7(4-16)5-17-6-8/h1-3,5-6H.
What are the key properties of 5-(2,4,6-trichlorophenyl)pyridine-3-carbonitrile?
5-(2,4,6-trichlorophenyl)pyridine-3-carbonitrile has a molecular weight of 283.55 g/mol, XLogP of 4.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4,6-trichlorophenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 134636778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).