2,4,6-trichloropyridine-3,5-dicarbonitrile

C7Cl3N3 — CID 15206362

IUPAC2,4,6-trichloropyridine-3,5-dicarbonitrile
SMILESN#Cc1c(Cl)nc(Cl)c(C#N)c1Cl
InChIInChI=1S/C7Cl3N3/c8-5-3(1-11)6(9)13-7(10)4(5)2-12
InChIKeyJBTPSLFCXVZWLF-UHFFFAOYSA-N
MW232.46 g/mol
LogP2.79
Rot. Bonds

About 2,4,6-trichloropyridine-3,5-dicarbonitrile

2,4,6-trichloropyridine-3,5-dicarbonitrile (PubChem CID 15206362) has the molecular formula C7Cl3N3 and a molecular weight of 232.46 g/mol. Its IUPAC name is 2,4,6-trichloropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,4,6-trichloropyridine-3,5-dicarbonitrile
PubChem CID15206362
Molecular FormulaC7Cl3N3
Molecular Weight232.46 g/mol
Exact Mass230.92
IUPAC Name2,4,6-trichloropyridine-3,5-dicarbonitrile
SMILESN#Cc1c(Cl)nc(Cl)c(C#N)c1Cl
InChIInChI=1S/C7Cl3N3/c8-5-3(1-11)6(9)13-7(10)4(5)2-12
InChIKeyJBTPSLFCXVZWLF-UHFFFAOYSA-N
XLogP2.79
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.46
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloropyridine-3,5-dicarbonitrile?
The IUPAC name of 2,4,6-trichloropyridine-3,5-dicarbonitrile (CID 15206362) is 2,4,6-trichloropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,4,6-trichloropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,4,6-trichloropyridine-3,5-dicarbonitrile is N#Cc1c(Cl)nc(Cl)c(C#N)c1Cl.
What is the InChIKey of 2,4,6-trichloropyridine-3,5-dicarbonitrile?
The InChIKey is JBTPSLFCXVZWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7Cl3N3/c8-5-3(1-11)6(9)13-7(10)4(5)2-12.
What are the key properties of 2,4,6-trichloropyridine-3,5-dicarbonitrile?
2,4,6-trichloropyridine-3,5-dicarbonitrile has a molecular weight of 232.46 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 15206362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).