2-[3-[(2-methylphenyl)methoxy]-2-oxo-1-pyridinyl]acetonitrile

C15H14N2O2 — CID 82143632

IUPAC2-[3-[(2-methylphenyl)methoxy]-2-oxo-1-pyridinyl]acetonitrile
SMILESCc1ccccc1COc1cccn(CC#N)c1=O
InChIInChI=1S/C15H14N2O2/c1-12-5-2-3-6-13(12)11-19-14-7-4-9-17(10-8-16)15(14)18/h2-7,9H,10-11H2,1H3
InChIKeyPLUCYSHZDPDPRJ-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.26
Rot. Bonds4

About 2-[3-[(2-methylphenyl)methoxy]-2-oxo-1-pyridinyl]acetonitrile

2-[3-[(2-methylphenyl)methoxy]-2-oxo-1-pyridinyl]acetonitrile (PubChem CID 82143632) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-[3-[(2-methylphenyl)methoxy]-2-oxo-1-pyridinyl]acetonitrile.

Molecular Properties

Compound Name2-[3-[(2-methylphenyl)methoxy]-2-oxo-1-pyridinyl]acetonitrile
PubChem CID82143632
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name2-[3-[(2-methylphenyl)methoxy]-2-oxo-1-pyridinyl]acetonitrile
SMILESCc1ccccc1COc1cccn(CC#N)c1=O
InChIInChI=1S/C15H14N2O2/c1-12-5-2-3-6-13(12)11-19-14-7-4-9-17(10-8-16)15(14)18/h2-7,9H,10-11H2,1H3
InChIKeyPLUCYSHZDPDPRJ-UHFFFAOYSA-N
XLogP2.26
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-methylphenyl)methoxy]-2-oxo-1-pyridinyl]acetonitrile?
The IUPAC name of 2-[3-[(2-methylphenyl)methoxy]-2-oxo-1-pyridinyl]acetonitrile (CID 82143632) is 2-[3-[(2-methylphenyl)methoxy]-2-oxo-1-pyridinyl]acetonitrile.
What is the SMILES notation for 2-[3-[(2-methylphenyl)methoxy]-2-oxo-1-pyridinyl]acetonitrile?
The canonical SMILES for 2-[3-[(2-methylphenyl)methoxy]-2-oxo-1-pyridinyl]acetonitrile is Cc1ccccc1COc1cccn(CC#N)c1=O.
What is the InChIKey of 2-[3-[(2-methylphenyl)methoxy]-2-oxo-1-pyridinyl]acetonitrile?
The InChIKey is PLUCYSHZDPDPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c1-12-5-2-3-6-13(12)11-19-14-7-4-9-17(10-8-16)15(14)18/h2-7,9H,10-11H2,1H3.
What are the key properties of 2-[3-[(2-methylphenyl)methoxy]-2-oxo-1-pyridinyl]acetonitrile?
2-[3-[(2-methylphenyl)methoxy]-2-oxo-1-pyridinyl]acetonitrile has a molecular weight of 254.29 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-methylphenyl)methoxy]-2-oxo-1-pyridinyl]acetonitrile is sourced from PubChem (CID 82143632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).