4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzonitrile

C16H16N2O — CID 15717173

IUPAC4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzonitrile
SMILESCCc1ccc(CCOc2ccc(C#N)cc2)nc1
InChIInChI=1S/C16H16N2O/c1-2-13-3-6-15(18-12-13)9-10-19-16-7-4-14(11-17)5-8-16/h3-8,12H,2,9-10H2,1H3
InChIKeyHBHUXNDUZWGLAA-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.14
Rot. Bonds5

About 4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzonitrile

4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzonitrile (PubChem CID 15717173) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzonitrile.

Molecular Properties

Compound Name4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzonitrile
PubChem CID15717173
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzonitrile
SMILESCCc1ccc(CCOc2ccc(C#N)cc2)nc1
InChIInChI=1S/C16H16N2O/c1-2-13-3-6-15(18-12-13)9-10-19-16-7-4-14(11-17)5-8-16/h3-8,12H,2,9-10H2,1H3
InChIKeyHBHUXNDUZWGLAA-UHFFFAOYSA-N
XLogP3.14
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzonitrile?
The IUPAC name of 4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzonitrile (CID 15717173) is 4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzonitrile.
What is the SMILES notation for 4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzonitrile?
The canonical SMILES for 4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzonitrile is CCc1ccc(CCOc2ccc(C#N)cc2)nc1.
What is the InChIKey of 4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzonitrile?
The InChIKey is HBHUXNDUZWGLAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-2-13-3-6-15(18-12-13)9-10-19-16-7-4-14(11-17)5-8-16/h3-8,12H,2,9-10H2,1H3.
What are the key properties of 4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzonitrile?
4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzonitrile has a molecular weight of 252.32 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-ethyl-2-pyridinyl)ethoxy]benzonitrile is sourced from PubChem (CID 15717173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).