6-ethyl-4-methyl-2-oxo-3H-pyridine-3-carbonitrile

C9H10N2O — CID 85212854

IUPAC6-ethyl-4-methyl-2-oxo-3H-pyridine-3-carbonitrile
SMILESCCC1=NC(=O)C(C#N)C(C)=C1
InChIInChI=1S/C9H10N2O/c1-3-7-4-6(2)8(5-10)9(12)11-7/h4,8H,3H2,1-2H3
InChIKeyDNMHZHHRNNYQED-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.46
Rot. Bonds1

About 6-ethyl-4-methyl-2-oxo-3H-pyridine-3-carbonitrile

6-ethyl-4-methyl-2-oxo-3H-pyridine-3-carbonitrile (PubChem CID 85212854) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 6-ethyl-4-methyl-2-oxo-3H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-ethyl-4-methyl-2-oxo-3H-pyridine-3-carbonitrile
PubChem CID85212854
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name6-ethyl-4-methyl-2-oxo-3H-pyridine-3-carbonitrile
SMILESCCC1=NC(=O)C(C#N)C(C)=C1
InChIInChI=1S/C9H10N2O/c1-3-7-4-6(2)8(5-10)9(12)11-7/h4,8H,3H2,1-2H3
InChIKeyDNMHZHHRNNYQED-UHFFFAOYSA-N
XLogP1.46
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-methyl-2-oxo-3H-pyridine-3-carbonitrile?
The IUPAC name of 6-ethyl-4-methyl-2-oxo-3H-pyridine-3-carbonitrile (CID 85212854) is 6-ethyl-4-methyl-2-oxo-3H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-ethyl-4-methyl-2-oxo-3H-pyridine-3-carbonitrile?
The canonical SMILES for 6-ethyl-4-methyl-2-oxo-3H-pyridine-3-carbonitrile is CCC1=NC(=O)C(C#N)C(C)=C1.
What is the InChIKey of 6-ethyl-4-methyl-2-oxo-3H-pyridine-3-carbonitrile?
The InChIKey is DNMHZHHRNNYQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-3-7-4-6(2)8(5-10)9(12)11-7/h4,8H,3H2,1-2H3.
What are the key properties of 6-ethyl-4-methyl-2-oxo-3H-pyridine-3-carbonitrile?
6-ethyl-4-methyl-2-oxo-3H-pyridine-3-carbonitrile has a molecular weight of 162.19 g/mol, XLogP of 1.46, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-methyl-2-oxo-3H-pyridine-3-carbonitrile is sourced from PubChem (CID 85212854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).