3,6-dichloropyridine-2-carbonitrile

C6H2Cl2N2 — CID 728690

IUPAC3,6-dichloropyridine-2-carbonitrile
SMILESN#Cc1nc(Cl)ccc1Cl
InChIInChI=1S/C6H2Cl2N2/c7-4-1-2-6(8)10-5(4)3-9/h1-2H
InChIKeyAFSVHZPQZBOZDK-UHFFFAOYSA-N
MW173.00 g/mol
LogP2.26
Rot. Bonds

About 3,6-dichloropyridine-2-carbonitrile

3,6-dichloropyridine-2-carbonitrile (PubChem CID 728690) has the molecular formula C6H2Cl2N2 and a molecular weight of 173.00 g/mol. Its IUPAC name is 3,6-dichloropyridine-2-carbonitrile.

Molecular Properties

Compound Name3,6-dichloropyridine-2-carbonitrile
PubChem CID728690
Molecular FormulaC6H2Cl2N2
Molecular Weight173.00 g/mol
Exact Mass171.96
IUPAC Name3,6-dichloropyridine-2-carbonitrile
SMILESN#Cc1nc(Cl)ccc1Cl
InChIInChI=1S/C6H2Cl2N2/c7-4-1-2-6(8)10-5(4)3-9/h1-2H
InChIKeyAFSVHZPQZBOZDK-UHFFFAOYSA-N
XLogP2.26
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.00
LogP ≤ 52.26
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

Nitrapyrin
CID 16004
2,6-Dichloropyridine
CID 16989
Tetrachloropicolinonitrile
CID 87323
2-Chloro-4,6-dimethyl-3-pyridinecarbonitrile
CID 223261
6-Chloro-2-picoline
CID 87601
Pyridine-2,6-dicarbonitrile
CID 76164
2,3,6-Trichloropyridine
CID 23016
2-Chloro-6-methylpyridine-3-carbonitrile
CID 520400
3,5-Dichloro-2-cyanopyridine
CID 2769699
3,6-Dichloro-2-(trichloromethyl)pyridine
CID 74554
2,3,4,6-Tetrachloropyridine
CID 84208
Pyridine, 2,4,6-trichloro-
CID 27665

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloropyridine-2-carbonitrile?
The IUPAC name of 3,6-dichloropyridine-2-carbonitrile (CID 728690) is 3,6-dichloropyridine-2-carbonitrile.
What is the SMILES notation for 3,6-dichloropyridine-2-carbonitrile?
The canonical SMILES for 3,6-dichloropyridine-2-carbonitrile is N#Cc1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloropyridine-2-carbonitrile?
The InChIKey is AFSVHZPQZBOZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2N2/c7-4-1-2-6(8)10-5(4)3-9/h1-2H.
What are the key properties of 3,6-dichloropyridine-2-carbonitrile?
3,6-dichloropyridine-2-carbonitrile has a molecular weight of 173.00 g/mol, XLogP of 2.26, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloropyridine-2-carbonitrile is sourced from PubChem (CID 728690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).