2,4,6-trichloropyridine-3-carbonitrile

C6HCl3N2 — CID 3016181

IUPAC2,4,6-trichloropyridine-3-carbonitrile
SMILESN#Cc1c(Cl)cc(Cl)nc1Cl
InChIInChI=1S/C6HCl3N2/c7-4-1-5(8)11-6(9)3(4)2-10/h1H
InChIKeyGCNVFPGCHKJKJK-UHFFFAOYSA-N
MW207.45 g/mol
LogP2.91
Rot. Bonds

About 2,4,6-trichloropyridine-3-carbonitrile

2,4,6-trichloropyridine-3-carbonitrile (PubChem CID 3016181) has the molecular formula C6HCl3N2 and a molecular weight of 207.45 g/mol. Its IUPAC name is 2,4,6-trichloropyridine-3-carbonitrile.

Molecular Properties

Compound Name2,4,6-trichloropyridine-3-carbonitrile
PubChem CID3016181
Molecular FormulaC6HCl3N2
Molecular Weight207.45 g/mol
Exact Mass205.92
IUPAC Name2,4,6-trichloropyridine-3-carbonitrile
SMILESN#Cc1c(Cl)cc(Cl)nc1Cl
InChIInChI=1S/C6HCl3N2/c7-4-1-5(8)11-6(9)3(4)2-10/h1H
InChIKeyGCNVFPGCHKJKJK-UHFFFAOYSA-N
XLogP2.91
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.45
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-Dichloropyridine
CID 16989
2-Chloro-4,6-dimethyl-3-pyridinecarbonitrile
CID 223261
3-Cyano-2,6-dichloro-4-methylpyridine
CID 70131
2,4,5,6-Tetrachloronicotinonitrile
CID 728674
Pyridine, 2,4,6-trichloro-
CID 27665
Pyridinitril
CID 14146
2-Chloronicotinonitrile
CID 81079
2,6-Dichloro-3-(trichloromethyl)pyridine
CID 108701
2-Chloro-6-methylpyridine-3-carbonitrile
CID 520400
2,6-Dichloro-3-(trifluoromethyl)pyridine
CID 1810337
2,3,4,6-Tetrachloropyridine
CID 84208
3,6-Dichloropyridine-2-carbonitrile
CID 728690

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloropyridine-3-carbonitrile?
The IUPAC name of 2,4,6-trichloropyridine-3-carbonitrile (CID 3016181) is 2,4,6-trichloropyridine-3-carbonitrile.
What is the SMILES notation for 2,4,6-trichloropyridine-3-carbonitrile?
The canonical SMILES for 2,4,6-trichloropyridine-3-carbonitrile is N#Cc1c(Cl)cc(Cl)nc1Cl.
What is the InChIKey of 2,4,6-trichloropyridine-3-carbonitrile?
The InChIKey is GCNVFPGCHKJKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HCl3N2/c7-4-1-5(8)11-6(9)3(4)2-10/h1H.
What are the key properties of 2,4,6-trichloropyridine-3-carbonitrile?
2,4,6-trichloropyridine-3-carbonitrile has a molecular weight of 207.45 g/mol, XLogP of 2.91, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloropyridine-3-carbonitrile is sourced from PubChem (CID 3016181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).