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

C8H8N2O2 — CID 178189042

IUPAC4-(hydroxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile
SMILESCC1=NC(=O)C(C#N)C(CO)=C1
InChIInChI=1S/C8H8N2O2/c1-5-2-6(4-11)7(3-9)8(12)10-5/h2,7,11H,4H2,1H3
InChIKeyYLULLWUQTDYPHC-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.05
Rot. Bonds1

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

4-(hydroxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile (PubChem CID 178189042) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 4-(hydroxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(hydroxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile
PubChem CID178189042
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name4-(hydroxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile
SMILESCC1=NC(=O)C(C#N)C(CO)=C1
InChIInChI=1S/C8H8N2O2/c1-5-2-6(4-11)7(3-9)8(12)10-5/h2,7,11H,4H2,1H3
InChIKeyYLULLWUQTDYPHC-UHFFFAOYSA-N
XLogP0.05
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(hydroxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile?
The IUPAC name of 4-(hydroxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile (CID 178189042) is 4-(hydroxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile.
What is the SMILES notation for 4-(hydroxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile?
The canonical SMILES for 4-(hydroxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile is CC1=NC(=O)C(C#N)C(CO)=C1.
What is the InChIKey of 4-(hydroxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile?
The InChIKey is YLULLWUQTDYPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-5-2-6(4-11)7(3-9)8(12)10-5/h2,7,11H,4H2,1H3.
What are the key properties of 4-(hydroxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile?
4-(hydroxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile has a molecular weight of 164.16 g/mol, XLogP of 0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(hydroxymethyl)-6-methyl-2-oxo-3H-pyridine-3-carbonitrile is sourced from PubChem (CID 178189042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).