4-(3-chlorophenyl)-2-ethoxy-6-(3-methoxyphenyl)pyridine-3-carbonitrile

C21H17ClN2O2 — CID 4096252

IUPAC4-(3-chlorophenyl)-2-ethoxy-6-(3-methoxyphenyl)pyridine-3-carbonitrile
SMILESCCOc1nc(-c2cccc(OC)c2)cc(-c2cccc(Cl)c2)c1C#N
InChIInChI=1S/C21H17ClN2O2/c1-3-26-21-19(13-23)18(14-6-4-8-16(22)10-14)12-20(24-21)15-7-5-9-17(11-15)25-2/h4-12H,3H2,1-2H3
InChIKeyRWUMUIVJFZDFNI-UHFFFAOYSA-N
MW364.83 g/mol
LogP5.35
Rot. Bonds5

About 4-(3-chlorophenyl)-2-ethoxy-6-(3-methoxyphenyl)pyridine-3-carbonitrile

4-(3-chlorophenyl)-2-ethoxy-6-(3-methoxyphenyl)pyridine-3-carbonitrile (PubChem CID 4096252) has the molecular formula C21H17ClN2O2 and a molecular weight of 364.83 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-ethoxy-6-(3-methoxyphenyl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-ethoxy-6-(3-methoxyphenyl)pyridine-3-carbonitrile
PubChem CID4096252
Molecular FormulaC21H17ClN2O2
Molecular Weight364.83 g/mol
Exact Mass364.10
IUPAC Name4-(3-chlorophenyl)-2-ethoxy-6-(3-methoxyphenyl)pyridine-3-carbonitrile
SMILESCCOc1nc(-c2cccc(OC)c2)cc(-c2cccc(Cl)c2)c1C#N
InChIInChI=1S/C21H17ClN2O2/c1-3-26-21-19(13-23)18(14-6-4-8-16(22)10-14)12-20(24-21)15-7-5-9-17(11-15)25-2/h4-12H,3H2,1-2H3
InChIKeyRWUMUIVJFZDFNI-UHFFFAOYSA-N
XLogP5.35
TPSA55.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.83
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(3-chlorophenyl)-2-ethoxy-6-(3-methoxyphenyl)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-(3-chlorophenyl)-2-ethoxy-6-(3-methoxyphenyl)pyridine-3-carbonitrile?
The IUPAC name of 4-(3-chlorophenyl)-2-ethoxy-6-(3-methoxyphenyl)pyridine-3-carbonitrile (CID 4096252) is 4-(3-chlorophenyl)-2-ethoxy-6-(3-methoxyphenyl)pyridine-3-carbonitrile.
What is the SMILES notation for 4-(3-chlorophenyl)-2-ethoxy-6-(3-methoxyphenyl)pyridine-3-carbonitrile?
The canonical SMILES for 4-(3-chlorophenyl)-2-ethoxy-6-(3-methoxyphenyl)pyridine-3-carbonitrile is CCOc1nc(-c2cccc(OC)c2)cc(-c2cccc(Cl)c2)c1C#N.
What is the InChIKey of 4-(3-chlorophenyl)-2-ethoxy-6-(3-methoxyphenyl)pyridine-3-carbonitrile?
The InChIKey is RWUMUIVJFZDFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O2/c1-3-26-21-19(13-23)18(14-6-4-8-16(22)10-14)12-20(24-21)15-7-5-9-17(11-15)25-2/h4-12H,3H2,1-2H3.
What are the key properties of 4-(3-chlorophenyl)-2-ethoxy-6-(3-methoxyphenyl)pyridine-3-carbonitrile?
4-(3-chlorophenyl)-2-ethoxy-6-(3-methoxyphenyl)pyridine-3-carbonitrile has a molecular weight of 364.83 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-ethoxy-6-(3-methoxyphenyl)pyridine-3-carbonitrile is sourced from PubChem (CID 4096252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).