1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carbonitrile

C14H12N2O2 — CID 82117381

IUPAC1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carbonitrile
SMILESCOc1ccccc1Cn1cccc(C#N)c1=O
InChIInChI=1S/C14H12N2O2/c1-18-13-7-3-2-5-12(13)10-16-8-4-6-11(9-15)14(16)17/h2-8H,10H2,1H3
InChIKeyQQGNUGKTWGIBNK-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.78
Rot. Bonds3

About 1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carbonitrile

1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carbonitrile (PubChem CID 82117381) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carbonitrile
PubChem CID82117381
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carbonitrile
SMILESCOc1ccccc1Cn1cccc(C#N)c1=O
InChIInChI=1S/C14H12N2O2/c1-18-13-7-3-2-5-12(13)10-16-8-4-6-11(9-15)14(16)17/h2-8H,10H2,1H3
InChIKeyQQGNUGKTWGIBNK-UHFFFAOYSA-N
XLogP1.78
TPSA55.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carbonitrile (CID 82117381) is 1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carbonitrile is COc1ccccc1Cn1cccc(C#N)c1=O.
What is the InChIKey of 1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carbonitrile?
The InChIKey is QQGNUGKTWGIBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-18-13-7-3-2-5-12(13)10-16-8-4-6-11(9-15)14(16)17/h2-8H,10H2,1H3.
What are the key properties of 1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carbonitrile?
1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carbonitrile has a molecular weight of 240.26 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 82117381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).