2,6-dichloropyridine-3,5-dicarbonitrile

C7HCl2N3 — CID 850221

IUPAC2,6-dichloropyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(Cl)nc1Cl
InChIInChI=1S/C7HCl2N3/c8-6-4(2-10)1-5(3-11)7(9)12-6/h1H
InChIKeyJWVLIQKMDXWUFT-UHFFFAOYSA-N
MW198.01 g/mol
LogP2.13
Rot. Bonds

About 2,6-dichloropyridine-3,5-dicarbonitrile

2,6-dichloropyridine-3,5-dicarbonitrile (PubChem CID 850221) has the molecular formula C7HCl2N3 and a molecular weight of 198.01 g/mol. Its IUPAC name is 2,6-dichloropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2,6-dichloropyridine-3,5-dicarbonitrile
PubChem CID850221
Molecular FormulaC7HCl2N3
Molecular Weight198.01 g/mol
Exact Mass196.95
IUPAC Name2,6-dichloropyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(Cl)nc1Cl
InChIInChI=1S/C7HCl2N3/c8-6-4(2-10)1-5(3-11)7(9)12-6/h1H
InChIKeyJWVLIQKMDXWUFT-UHFFFAOYSA-N
XLogP2.13
TPSA60.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.01
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,6-dichloropyridine-3,5-dicarbonitrile 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-Chloro-4,6-dimethyl-3-pyridinecarbonitrile
CID 223261
2-Amino-6-chloropyridine-3,5-dicarbonitrile
CID 295901
2,4,5,6-Tetrachloronicotinonitrile
CID 728674
3-Cyano-2,6-dichloro-4-methylpyridine
CID 70131
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
2,6-Dichloro-5-fluoro-3-pyridinecarbonitrile
CID 2733849
2,6-Dichloro-4-(trifluoromethyl)nicotinonitrile
CID 2736726

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloropyridine-3,5-dicarbonitrile?
The IUPAC name of 2,6-dichloropyridine-3,5-dicarbonitrile (CID 850221) is 2,6-dichloropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2,6-dichloropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2,6-dichloropyridine-3,5-dicarbonitrile is N#Cc1cc(C#N)c(Cl)nc1Cl.
What is the InChIKey of 2,6-dichloropyridine-3,5-dicarbonitrile?
The InChIKey is JWVLIQKMDXWUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HCl2N3/c8-6-4(2-10)1-5(3-11)7(9)12-6/h1H.
What are the key properties of 2,6-dichloropyridine-3,5-dicarbonitrile?
2,6-dichloropyridine-3,5-dicarbonitrile has a molecular weight of 198.01 g/mol, XLogP of 2.13, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 850221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).