2-ethoxy-4,6-diphenylpyridine-3-carbonitrile

C20H16N2O — CID 678560

IUPAC2-ethoxy-4,6-diphenylpyridine-3-carbonitrile
SMILESCCOc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N
InChIInChI=1S/C20H16N2O/c1-2-23-20-18(14-21)17(15-9-5-3-6-10-15)13-19(22-20)16-11-7-4-8-12-16/h3-13H,2H2,1H3
InChIKeyLILZXGWRQBRMKC-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.69
Rot. Bonds4

About 2-ethoxy-4,6-diphenylpyridine-3-carbonitrile

2-ethoxy-4,6-diphenylpyridine-3-carbonitrile (PubChem CID 678560) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-ethoxy-4,6-diphenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-ethoxy-4,6-diphenylpyridine-3-carbonitrile
PubChem CID678560
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name2-ethoxy-4,6-diphenylpyridine-3-carbonitrile
SMILESCCOc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N
InChIInChI=1S/C20H16N2O/c1-2-23-20-18(14-21)17(15-9-5-3-6-10-15)13-19(22-20)16-11-7-4-8-12-16/h3-13H,2H2,1H3
InChIKeyLILZXGWRQBRMKC-UHFFFAOYSA-N
XLogP4.69
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-4,6-diphenylpyridine-3-carbonitrile?
The IUPAC name of 2-ethoxy-4,6-diphenylpyridine-3-carbonitrile (CID 678560) is 2-ethoxy-4,6-diphenylpyridine-3-carbonitrile.
What is the SMILES notation for 2-ethoxy-4,6-diphenylpyridine-3-carbonitrile?
The canonical SMILES for 2-ethoxy-4,6-diphenylpyridine-3-carbonitrile is CCOc1nc(-c2ccccc2)cc(-c2ccccc2)c1C#N.
What is the InChIKey of 2-ethoxy-4,6-diphenylpyridine-3-carbonitrile?
The InChIKey is LILZXGWRQBRMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-2-23-20-18(14-21)17(15-9-5-3-6-10-15)13-19(22-20)16-11-7-4-8-12-16/h3-13H,2H2,1H3.
What are the key properties of 2-ethoxy-4,6-diphenylpyridine-3-carbonitrile?
2-ethoxy-4,6-diphenylpyridine-3-carbonitrile has a molecular weight of 300.36 g/mol, XLogP of 4.69, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-4,6-diphenylpyridine-3-carbonitrile is sourced from PubChem (CID 678560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).