2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile

C14H11Cl2N3 — CID 784964

IUPAC2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C14H11Cl2N3/c1-8-3-9(2)18-14(13(8)7-17)19-12-5-10(15)4-11(16)6-12/h3-6H,1-2H3,(H,18,19)
InChIKeyRCBOMXPITRCVIF-UHFFFAOYSA-N
MW292.17 g/mol
LogP4.62
Rot. Bonds2

About 2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile

2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile (PubChem CID 784964) has the molecular formula C14H11Cl2N3 and a molecular weight of 292.17 g/mol. Its IUPAC name is 2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile
PubChem CID784964
Molecular FormulaC14H11Cl2N3
Molecular Weight292.17 g/mol
Exact Mass291.03
IUPAC Name2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile
SMILESCc1cc(C)c(C#N)c(Nc2cc(Cl)cc(Cl)c2)n1
InChIInChI=1S/C14H11Cl2N3/c1-8-3-9(2)18-14(13(8)7-17)19-12-5-10(15)4-11(16)6-12/h3-6H,1-2H3,(H,18,19)
InChIKeyRCBOMXPITRCVIF-UHFFFAOYSA-N
XLogP4.62
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile?
The IUPAC name of 2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile (CID 784964) is 2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile.
What is the SMILES notation for 2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile?
The canonical SMILES for 2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile is Cc1cc(C)c(C#N)c(Nc2cc(Cl)cc(Cl)c2)n1.
What is the InChIKey of 2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile?
The InChIKey is RCBOMXPITRCVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2N3/c1-8-3-9(2)18-14(13(8)7-17)19-12-5-10(15)4-11(16)6-12/h3-6H,1-2H3,(H,18,19).
What are the key properties of 2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile?
2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile has a molecular weight of 292.17 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloroanilino)-4,6-dimethylpyridine-3-carbonitrile is sourced from PubChem (CID 784964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).