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

C18H6Cl6N2 — CID 134635784

IUPAC2,6-bis(2,3,4-trichlorophenyl)pyridine-4-carbonitrile
SMILESN#Cc1cc(-c2ccc(Cl)c(Cl)c2Cl)nc(-c2ccc(Cl)c(Cl)c2Cl)c1
InChIInChI=1S/C18H6Cl6N2/c19-11-3-1-9(15(21)17(11)23)13-5-8(7-25)6-14(26-13)10-2-4-12(20)18(24)16(10)22/h1-6H
InChIKeyYOSPMXVABBEFTJ-UHFFFAOYSA-N
MW462.98 g/mol
LogP8.21
Rot. Bonds2

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

2,6-bis(2,3,4-trichlorophenyl)pyridine-4-carbonitrile (PubChem CID 134635784) has the molecular formula C18H6Cl6N2 and a molecular weight of 462.98 g/mol. Its IUPAC name is 2,6-bis(2,3,4-trichlorophenyl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name2,6-bis(2,3,4-trichlorophenyl)pyridine-4-carbonitrile
PubChem CID134635784
Molecular FormulaC18H6Cl6N2
Molecular Weight462.98 g/mol
Exact Mass459.87
IUPAC Name2,6-bis(2,3,4-trichlorophenyl)pyridine-4-carbonitrile
SMILESN#Cc1cc(-c2ccc(Cl)c(Cl)c2Cl)nc(-c2ccc(Cl)c(Cl)c2Cl)c1
InChIInChI=1S/C18H6Cl6N2/c19-11-3-1-9(15(21)17(11)23)13-5-8(7-25)6-14(26-13)10-2-4-12(20)18(24)16(10)22/h1-6H
InChIKeyYOSPMXVABBEFTJ-UHFFFAOYSA-N
XLogP8.21
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.98
LogP ≤ 58.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2,6-bis(2,3,4-trichlorophenyl)pyridine-4-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

3,6-bis(2,3,4-trichlorophenyl)pyridine-2-carbonitrile
CID 134623859
2-[5-chloro-2-(2,3,4-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134636100
2-fluoro-6-(2,3,4-trichlorophenyl)pyridine
CID 133090349
2-[5-chloro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]acetonitrile
CID 134625706
2-[2-chloro-6-(2,3,4-trichlorophenyl)-4-pyridinyl]acetic acid
CID 118999815
4-(2-amino-6-methylpyrimidin-4-yl)-3-chlorobenzonitrile
CID 126962324
2,6-bis(4-fluorophenyl)pyridine-4-carbonitrile
CID 46313546
2,6-dichloro-3-(2,3,4-trichlorophenyl)pyridine
CID 118997066
3-(2,3-dichlorophenyl)-1,2-oxazole-5-carbonitrile
CID 1154158
2-amino-4-(2,3-dichlorophenyl)-6-(2,4-dichlorophenyl)pyridine-3-carbonitrile
CID 3391786
2-amino-4-(2,3-dichlorophenyl)-6-(2,5-dichlorophenyl)pyridine-3-carbonitrile
CID 3543956
4-fluoro-2,5-bis(2,3,4-trichlorophenyl)pyridine
CID 133090114

Frequently Asked Questions

What is the IUPAC name of 2,6-bis(2,3,4-trichlorophenyl)pyridine-4-carbonitrile?
The IUPAC name of 2,6-bis(2,3,4-trichlorophenyl)pyridine-4-carbonitrile (CID 134635784) is 2,6-bis(2,3,4-trichlorophenyl)pyridine-4-carbonitrile.
What is the SMILES notation for 2,6-bis(2,3,4-trichlorophenyl)pyridine-4-carbonitrile?
The canonical SMILES for 2,6-bis(2,3,4-trichlorophenyl)pyridine-4-carbonitrile is N#Cc1cc(-c2ccc(Cl)c(Cl)c2Cl)nc(-c2ccc(Cl)c(Cl)c2Cl)c1.
What is the InChIKey of 2,6-bis(2,3,4-trichlorophenyl)pyridine-4-carbonitrile?
The InChIKey is YOSPMXVABBEFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H6Cl6N2/c19-11-3-1-9(15(21)17(11)23)13-5-8(7-25)6-14(26-13)10-2-4-12(20)18(24)16(10)22/h1-6H.
What are the key properties of 2,6-bis(2,3,4-trichlorophenyl)pyridine-4-carbonitrile?
2,6-bis(2,3,4-trichlorophenyl)pyridine-4-carbonitrile has a molecular weight of 462.98 g/mol, XLogP of 8.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(2,3,4-trichlorophenyl)pyridine-4-carbonitrile is sourced from PubChem (CID 134635784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).