2-[4-[2-(2-oxo-1-pyridinyl)ethoxy]phenyl]acetonitrile

C15H14N2O2 — CID 43289160

IUPAC2-[4-[2-(2-oxo-1-pyridinyl)ethoxy]phenyl]acetonitrile
SMILESN#CCc1ccc(OCCn2ccccc2=O)cc1
InChIInChI=1S/C15H14N2O2/c16-9-8-13-4-6-14(7-5-13)19-12-11-17-10-2-1-3-15(17)18/h1-7,10H,8,11-12H2
InChIKeyLKHBJUYWFVGRTL-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.99
Rot. Bonds5

About 2-[4-[2-(2-oxo-1-pyridinyl)ethoxy]phenyl]acetonitrile

2-[4-[2-(2-oxo-1-pyridinyl)ethoxy]phenyl]acetonitrile (PubChem CID 43289160) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[4-[2-(2-oxo-1-pyridinyl)ethoxy]phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-[2-(2-oxo-1-pyridinyl)ethoxy]phenyl]acetonitrile
PubChem CID43289160
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-[4-[2-(2-oxo-1-pyridinyl)ethoxy]phenyl]acetonitrile
SMILESN#CCc1ccc(OCCn2ccccc2=O)cc1
InChIInChI=1S/C15H14N2O2/c16-9-8-13-4-6-14(7-5-13)19-12-11-17-10-2-1-3-15(17)18/h1-7,10H,8,11-12H2
InChIKeyLKHBJUYWFVGRTL-UHFFFAOYSA-N
XLogP1.99
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-oxo-1-pyridinyl)ethoxy]phenyl]acetonitrile?
The IUPAC name of 2-[4-[2-(2-oxo-1-pyridinyl)ethoxy]phenyl]acetonitrile (CID 43289160) is 2-[4-[2-(2-oxo-1-pyridinyl)ethoxy]phenyl]acetonitrile.
What is the SMILES notation for 2-[4-[2-(2-oxo-1-pyridinyl)ethoxy]phenyl]acetonitrile?
The canonical SMILES for 2-[4-[2-(2-oxo-1-pyridinyl)ethoxy]phenyl]acetonitrile is N#CCc1ccc(OCCn2ccccc2=O)cc1.
What is the InChIKey of 2-[4-[2-(2-oxo-1-pyridinyl)ethoxy]phenyl]acetonitrile?
The InChIKey is LKHBJUYWFVGRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c16-9-8-13-4-6-14(7-5-13)19-12-11-17-10-2-1-3-15(17)18/h1-7,10H,8,11-12H2.
What are the key properties of 2-[4-[2-(2-oxo-1-pyridinyl)ethoxy]phenyl]acetonitrile?
2-[4-[2-(2-oxo-1-pyridinyl)ethoxy]phenyl]acetonitrile has a molecular weight of 254.29 g/mol, XLogP of 1.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-oxo-1-pyridinyl)ethoxy]phenyl]acetonitrile is sourced from PubChem (CID 43289160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).