4-[(2-methoxyphenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile

C14H12N2O2 — CID 70494743

IUPAC4-[(2-methoxyphenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1ccccc1Cc1cc[nH]c(=O)c1C#N
InChIInChI=1S/C14H12N2O2/c1-18-13-5-3-2-4-11(13)8-10-6-7-16-14(17)12(10)9-15/h2-7H,8H2,1H3,(H,16,17)
InChIKeyPRSJMMNONFFJCX-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.85
Rot. Bonds3

About 4-[(2-methoxyphenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile

4-[(2-methoxyphenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 70494743) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-[(2-methoxyphenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[(2-methoxyphenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID70494743
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name4-[(2-methoxyphenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile
SMILESCOc1ccccc1Cc1cc[nH]c(=O)c1C#N
InChIInChI=1S/C14H12N2O2/c1-18-13-5-3-2-4-11(13)8-10-6-7-16-14(17)12(10)9-15/h2-7H,8H2,1H3,(H,16,17)
InChIKeyPRSJMMNONFFJCX-UHFFFAOYSA-N
XLogP1.85
TPSA65.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-1H-pyridin-2-one;hydrate
CID 90189833
4-(cyclopentylamino)-2-[(2-methoxyphenyl)methyl]-6-oxo-1H-pyrimidine-5-carbonitrile
CID 135994997
[2-[(2-methoxyphenyl)methyl]phenyl]methylphosphane
CID 69335207
1-bromo-2-[(2-methoxyphenyl)methyl]benzene
CID 165410095
1-[(2-methoxyphenyl)methyl]-2-oxopyridine-3-carbonitrile
CID 82117381
2-(2-methoxyphenyl)acetyl cyanide
CID 89033062
2-[(2-methoxyphenyl)methyl]-4-methyl-1,4-dihydroimidazol-5-one
CID 106952206
4-(2-methylphenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 82077939
3-[(2-methoxyphenyl)methyl]-1H-indole
CID 102404836
3-[(2-methoxyphenyl)methylamino]-1H-pyrazin-2-one
CID 115650170
4-[2-(2-methoxyphenyl)ethylamino]-2-oxo-1H-pyridine-3-carboxylic acid
CID 68729657
azanium 5-[(2-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidin-6-olate
CID 44660539

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyphenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 4-[(2-methoxyphenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile (CID 70494743) is 4-[(2-methoxyphenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-[(2-methoxyphenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 4-[(2-methoxyphenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile is COc1ccccc1Cc1cc[nH]c(=O)c1C#N.
What is the InChIKey of 4-[(2-methoxyphenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is PRSJMMNONFFJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-18-13-5-3-2-4-11(13)8-10-6-7-16-14(17)12(10)9-15/h2-7H,8H2,1H3,(H,16,17).
What are the key properties of 4-[(2-methoxyphenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile?
4-[(2-methoxyphenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 240.26 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyphenyl)methyl]-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 70494743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).