4-(methoxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile

C9H10N2O2 — CID 3728840

IUPAC4-(methoxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile
SMILESCOCC1=CC(C)=NC(=O)C1C#N
InChIInChI=1S/C9H10N2O2/c1-6-3-7(5-13-2)8(4-10)9(12)11-6/h3,8H,5H2,1-2H3
InChIKeyYEIGHVOFFVNGBI-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.70
Rot. Bonds2

About 4-(methoxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile

4-(methoxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile (PubChem CID 3728840) has the molecular formula C9H10N2O2 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4-(methoxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(methoxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile
PubChem CID3728840
Molecular FormulaC9H10N2O2
Molecular Weight178.19 g/mol
Exact Mass178.07
IUPAC Name4-(methoxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile
SMILESCOCC1=CC(C)=NC(=O)C1C#N
InChIInChI=1S/C9H10N2O2/c1-6-3-7(5-13-2)8(4-10)9(12)11-6/h3,8H,5H2,1-2H3
InChIKeyYEIGHVOFFVNGBI-UHFFFAOYSA-N
XLogP0.70
TPSA62.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile?
The IUPAC name of 4-(methoxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile (CID 3728840) is 4-(methoxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(methoxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(methoxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile is COCC1=CC(C)=NC(=O)C1C#N.
What is the InChIKey of 4-(methoxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile?
The InChIKey is YEIGHVOFFVNGBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O2/c1-6-3-7(5-13-2)8(4-10)9(12)11-6/h3,8H,5H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile?
4-(methoxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile has a molecular weight of 178.19 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile is sourced from PubChem (CID 3728840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).