2-chloro-6-ethoxy-4-phenylpyridine-3,5-dicarbonitrile

C15H10ClN3O — CID 11033374

IUPAC2-chloro-6-ethoxy-4-phenylpyridine-3,5-dicarbonitrile
SMILESCCOc1nc(Cl)c(C#N)c(-c2ccccc2)c1C#N
InChIInChI=1S/C15H10ClN3O/c1-2-20-15-12(9-18)13(10-6-4-3-5-7-10)11(8-17)14(16)19-15/h3-7H,2H2,1H3
InChIKeySILZTAMGRXLTQI-UHFFFAOYSA-N
MW283.72 g/mol
LogP3.54
Rot. Bonds3

About 2-chloro-6-ethoxy-4-phenylpyridine-3,5-dicarbonitrile

2-chloro-6-ethoxy-4-phenylpyridine-3,5-dicarbonitrile (PubChem CID 11033374) has the molecular formula C15H10ClN3O and a molecular weight of 283.72 g/mol. Its IUPAC name is 2-chloro-6-ethoxy-4-phenylpyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-chloro-6-ethoxy-4-phenylpyridine-3,5-dicarbonitrile
PubChem CID11033374
Molecular FormulaC15H10ClN3O
Molecular Weight283.72 g/mol
Exact Mass283.05
IUPAC Name2-chloro-6-ethoxy-4-phenylpyridine-3,5-dicarbonitrile
SMILESCCOc1nc(Cl)c(C#N)c(-c2ccccc2)c1C#N
InChIInChI=1S/C15H10ClN3O/c1-2-20-15-12(9-18)13(10-6-4-3-5-7-10)11(8-17)14(16)19-15/h3-7H,2H2,1H3
InChIKeySILZTAMGRXLTQI-UHFFFAOYSA-N
XLogP3.54
TPSA69.70 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-chloro-6-ethoxy-4-phenylpyridine-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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-ethoxy-4-phenylpyridine-3,5-dicarbonitrile?
The IUPAC name of 2-chloro-6-ethoxy-4-phenylpyridine-3,5-dicarbonitrile (CID 11033374) is 2-chloro-6-ethoxy-4-phenylpyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-chloro-6-ethoxy-4-phenylpyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-chloro-6-ethoxy-4-phenylpyridine-3,5-dicarbonitrile is CCOc1nc(Cl)c(C#N)c(-c2ccccc2)c1C#N.
What is the InChIKey of 2-chloro-6-ethoxy-4-phenylpyridine-3,5-dicarbonitrile?
The InChIKey is SILZTAMGRXLTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O/c1-2-20-15-12(9-18)13(10-6-4-3-5-7-10)11(8-17)14(16)19-15/h3-7H,2H2,1H3.
What are the key properties of 2-chloro-6-ethoxy-4-phenylpyridine-3,5-dicarbonitrile?
2-chloro-6-ethoxy-4-phenylpyridine-3,5-dicarbonitrile has a molecular weight of 283.72 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-ethoxy-4-phenylpyridine-3,5-dicarbonitrile is sourced from PubChem (CID 11033374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).