2,6-dichloropyridine-3-carbonitrile

C6H2Cl2N2 — CID 12605538

IUPAC2,6-dichloropyridine-3-carbonitrile
SMILESN#Cc1ccc(Cl)nc1Cl
InChIInChI=1S/C6H2Cl2N2/c7-5-2-1-4(3-9)6(8)10-5/h1-2H
InChIKeyLFCADBSUDWERJT-UHFFFAOYSA-N
MW173.00 g/mol
LogP2.26
Rot. Bonds

About 2,6-dichloropyridine-3-carbonitrile

2,6-dichloropyridine-3-carbonitrile (PubChem CID 12605538) has the molecular formula C6H2Cl2N2 and a molecular weight of 173.00 g/mol. Its IUPAC name is 2,6-dichloropyridine-3-carbonitrile.

Molecular Properties

Compound Name2,6-dichloropyridine-3-carbonitrile
PubChem CID12605538
Molecular FormulaC6H2Cl2N2
Molecular Weight173.00 g/mol
Exact Mass171.96
IUPAC Name2,6-dichloropyridine-3-carbonitrile
SMILESN#Cc1ccc(Cl)nc1Cl
InChIInChI=1S/C6H2Cl2N2/c7-5-2-1-4(3-9)6(8)10-5/h1-2H
InChIKeyLFCADBSUDWERJT-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

2,6-Dichloropyridine
CID 16989
2-Chloro-4,6-dimethyl-3-pyridinecarbonitrile
CID 223261
3-Cyano-2,6-dichloro-4-methylpyridine
CID 70131
2,3,6-Trichloropyridine
CID 23016
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
3,6-Dichloropyridine-2-carbonitrile
CID 728690

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloropyridine-3-carbonitrile?
The IUPAC name of 2,6-dichloropyridine-3-carbonitrile (CID 12605538) is 2,6-dichloropyridine-3-carbonitrile.
What is the SMILES notation for 2,6-dichloropyridine-3-carbonitrile?
The canonical SMILES for 2,6-dichloropyridine-3-carbonitrile is N#Cc1ccc(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloropyridine-3-carbonitrile?
The InChIKey is LFCADBSUDWERJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2Cl2N2/c7-5-2-1-4(3-9)6(8)10-5/h1-2H.
What are the key properties of 2,6-dichloropyridine-3-carbonitrile?
2,6-dichloropyridine-3-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 2,6-dichloropyridine-3-carbonitrile is sourced from PubChem (CID 12605538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).