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

C18H6Cl6N2 — CID 134623859

IUPAC3,6-bis(2,3,4-trichlorophenyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(-c2ccc(Cl)c(Cl)c2Cl)ccc1-c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C18H6Cl6N2/c19-11-4-1-9(15(21)17(11)23)8-3-6-13(26-14(8)7-25)10-2-5-12(20)18(24)16(10)22/h1-6H
InChIKeyINGBPSDEGUZPCR-UHFFFAOYSA-N
MW462.98 g/mol
LogP8.21
Rot. Bonds2

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

3,6-bis(2,3,4-trichlorophenyl)pyridine-2-carbonitrile (PubChem CID 134623859) has the molecular formula C18H6Cl6N2 and a molecular weight of 462.98 g/mol. Its IUPAC name is 3,6-bis(2,3,4-trichlorophenyl)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3,6-bis(2,3,4-trichlorophenyl)pyridine-2-carbonitrile
PubChem CID134623859
Molecular FormulaC18H6Cl6N2
Molecular Weight462.98 g/mol
Exact Mass459.87
IUPAC Name3,6-bis(2,3,4-trichlorophenyl)pyridine-2-carbonitrile
SMILESN#Cc1nc(-c2ccc(Cl)c(Cl)c2Cl)ccc1-c1ccc(Cl)c(Cl)c1Cl
InChIInChI=1S/C18H6Cl6N2/c19-11-4-1-9(15(21)17(11)23)8-3-6-13(26-14(8)7-25)10-2-5-12(20)18(24)16(10)22/h1-6H
InChIKeyINGBPSDEGUZPCR-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 3,6-bis(2,3,4-trichlorophenyl)pyridine-2-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

2,6-bis(2,3,4-trichlorophenyl)pyridine-4-carbonitrile
CID 134635784
2-fluoro-6-(2,3,4-trichlorophenyl)pyridine
CID 133090349
2-[5-chloro-2-(2,3,4-trichlorophenyl)-4-pyridinyl]acetonitrile
CID 134636100
2,6-dichloro-3-(2,3,4-trichlorophenyl)pyridine
CID 118997066
4-fluoro-2,5-bis(2,3,4-trichlorophenyl)pyridine
CID 133090114
methyl 3-chloro-6-(2,3,4-trichlorophenyl)pyridine-2-carboxylate
CID 134636585
2-[5-chloro-6-(2,3,4-trichlorophenyl)-2-pyridinyl]acetonitrile
CID 134625706
2-[3-amino-6-(2,3-dichlorophenyl)-2-pyridinyl]acetonitrile
CID 133094450
1-[4-(2,3,4-trichlorophenyl)-1,3-thiazol-2-yl]ethanamine
CID 5020525
3-methoxy-2-nitro-6-(2,3,4-trichlorophenyl)pyridine
CID 134636384
[4-(2,3,4-trichlorophenyl)-1,3-thiazol-2-yl]hydrazine
CID 7174069
6-chloro-5-(2,3,4-trichlorophenyl)pyridine-2-carbaldehyde
CID 134636047

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(2,3,4-trichlorophenyl)pyridine-2-carbonitrile?
The IUPAC name of 3,6-bis(2,3,4-trichlorophenyl)pyridine-2-carbonitrile (CID 134623859) is 3,6-bis(2,3,4-trichlorophenyl)pyridine-2-carbonitrile.
What is the SMILES notation for 3,6-bis(2,3,4-trichlorophenyl)pyridine-2-carbonitrile?
The canonical SMILES for 3,6-bis(2,3,4-trichlorophenyl)pyridine-2-carbonitrile is N#Cc1nc(-c2ccc(Cl)c(Cl)c2Cl)ccc1-c1ccc(Cl)c(Cl)c1Cl.
What is the InChIKey of 3,6-bis(2,3,4-trichlorophenyl)pyridine-2-carbonitrile?
The InChIKey is INGBPSDEGUZPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H6Cl6N2/c19-11-4-1-9(15(21)17(11)23)8-3-6-13(26-14(8)7-25)10-2-5-12(20)18(24)16(10)22/h1-6H.
What are the key properties of 3,6-bis(2,3,4-trichlorophenyl)pyridine-2-carbonitrile?
3,6-bis(2,3,4-trichlorophenyl)pyridine-2-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 3,6-bis(2,3,4-trichlorophenyl)pyridine-2-carbonitrile is sourced from PubChem (CID 134623859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).