4-(4-chlorophenyl)-2-(methylamino)pyridine-3-carbonitrile

C13H10ClN3 — CID 1487468

IUPAC4-(4-chlorophenyl)-2-(methylamino)pyridine-3-carbonitrile
SMILESCNc1nccc(-c2ccc(Cl)cc2)c1C#N
InChIInChI=1S/C13H10ClN3/c1-16-13-12(8-15)11(6-7-17-13)9-2-4-10(14)5-3-9/h2-7H,1H3,(H,16,17)
InChIKeyZTNBLEYNLNBYIO-UHFFFAOYSA-N
MW243.70 g/mol
LogP3.32
Rot. Bonds2

About 4-(4-chlorophenyl)-2-(methylamino)pyridine-3-carbonitrile

4-(4-chlorophenyl)-2-(methylamino)pyridine-3-carbonitrile (PubChem CID 1487468) has the molecular formula C13H10ClN3 and a molecular weight of 243.70 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-2-(methylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-chlorophenyl)-2-(methylamino)pyridine-3-carbonitrile
PubChem CID1487468
Molecular FormulaC13H10ClN3
Molecular Weight243.70 g/mol
Exact Mass243.06
IUPAC Name4-(4-chlorophenyl)-2-(methylamino)pyridine-3-carbonitrile
SMILESCNc1nccc(-c2ccc(Cl)cc2)c1C#N
InChIInChI=1S/C13H10ClN3/c1-16-13-12(8-15)11(6-7-17-13)9-2-4-10(14)5-3-9/h2-7H,1H3,(H,16,17)
InChIKeyZTNBLEYNLNBYIO-UHFFFAOYSA-N
XLogP3.32
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4-chlorophenyl)-2-(methylamino)pyridine-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 4-(4-chlorophenyl)-2-(methylamino)pyridine-3-carbonitrile?
The IUPAC name of 4-(4-chlorophenyl)-2-(methylamino)pyridine-3-carbonitrile (CID 1487468) is 4-(4-chlorophenyl)-2-(methylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-chlorophenyl)-2-(methylamino)pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-chlorophenyl)-2-(methylamino)pyridine-3-carbonitrile is CNc1nccc(-c2ccc(Cl)cc2)c1C#N.
What is the InChIKey of 4-(4-chlorophenyl)-2-(methylamino)pyridine-3-carbonitrile?
The InChIKey is ZTNBLEYNLNBYIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3/c1-16-13-12(8-15)11(6-7-17-13)9-2-4-10(14)5-3-9/h2-7H,1H3,(H,16,17).
What are the key properties of 4-(4-chlorophenyl)-2-(methylamino)pyridine-3-carbonitrile?
4-(4-chlorophenyl)-2-(methylamino)pyridine-3-carbonitrile has a molecular weight of 243.70 g/mol, XLogP of 3.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-2-(methylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 1487468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).