5-ethoxy-2-phenylpyridine-4-carbonitrile

C14H12N2O — CID 132588886

IUPAC5-ethoxy-2-phenylpyridine-4-carbonitrile
SMILESCCOc1cnc(-c2ccccc2)cc1C#N
InChIInChI=1S/C14H12N2O/c1-2-17-14-10-16-13(8-12(14)9-15)11-6-4-3-5-7-11/h3-8,10H,2H2,1H3
InChIKeyWNBGDGXDOVIQKB-UHFFFAOYSA-N
MW224.26 g/mol
LogP3.02
Rot. Bonds3

About 5-ethoxy-2-phenylpyridine-4-carbonitrile

5-ethoxy-2-phenylpyridine-4-carbonitrile (PubChem CID 132588886) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-ethoxy-2-phenylpyridine-4-carbonitrile.

Molecular Properties

Compound Name5-ethoxy-2-phenylpyridine-4-carbonitrile
PubChem CID132588886
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name5-ethoxy-2-phenylpyridine-4-carbonitrile
SMILESCCOc1cnc(-c2ccccc2)cc1C#N
InChIInChI=1S/C14H12N2O/c1-2-17-14-10-16-13(8-12(14)9-15)11-6-4-3-5-7-11/h3-8,10H,2H2,1H3
InChIKeyWNBGDGXDOVIQKB-UHFFFAOYSA-N
XLogP3.02
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-2-phenylpyridine-4-carbonitrile?
The IUPAC name of 5-ethoxy-2-phenylpyridine-4-carbonitrile (CID 132588886) is 5-ethoxy-2-phenylpyridine-4-carbonitrile.
What is the SMILES notation for 5-ethoxy-2-phenylpyridine-4-carbonitrile?
The canonical SMILES for 5-ethoxy-2-phenylpyridine-4-carbonitrile is CCOc1cnc(-c2ccccc2)cc1C#N.
What is the InChIKey of 5-ethoxy-2-phenylpyridine-4-carbonitrile?
The InChIKey is WNBGDGXDOVIQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-2-17-14-10-16-13(8-12(14)9-15)11-6-4-3-5-7-11/h3-8,10H,2H2,1H3.
What are the key properties of 5-ethoxy-2-phenylpyridine-4-carbonitrile?
5-ethoxy-2-phenylpyridine-4-carbonitrile has a molecular weight of 224.26 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-2-phenylpyridine-4-carbonitrile is sourced from PubChem (CID 132588886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).