2-oxo-6-propyl-1H-pyridine-3-carbonitrile

C9H10N2O — CID 14490487

IUPAC2-oxo-6-propyl-1H-pyridine-3-carbonitrile
SMILESCCCc1ccc(C#N)c(=O)[nH]1
InChIInChI=1S/C9H10N2O/c1-2-3-8-5-4-7(6-10)9(12)11-8/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyNYORYBPIOLYYOO-UHFFFAOYSA-N
MW162.19 g/mol
LogP1.20
Rot. Bonds2

About 2-oxo-6-propyl-1H-pyridine-3-carbonitrile

2-oxo-6-propyl-1H-pyridine-3-carbonitrile (PubChem CID 14490487) has the molecular formula C9H10N2O and a molecular weight of 162.19 g/mol. Its IUPAC name is 2-oxo-6-propyl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-oxo-6-propyl-1H-pyridine-3-carbonitrile
PubChem CID14490487
Molecular FormulaC9H10N2O
Molecular Weight162.19 g/mol
Exact Mass162.08
IUPAC Name2-oxo-6-propyl-1H-pyridine-3-carbonitrile
SMILESCCCc1ccc(C#N)c(=O)[nH]1
InChIInChI=1S/C9H10N2O/c1-2-3-8-5-4-7(6-10)9(12)11-8/h4-5H,2-3H2,1H3,(H,11,12)
InChIKeyNYORYBPIOLYYOO-UHFFFAOYSA-N
XLogP1.20
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.19
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-propyl-1H-pyridine-3-carbonitrile?
The IUPAC name of 2-oxo-6-propyl-1H-pyridine-3-carbonitrile (CID 14490487) is 2-oxo-6-propyl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 2-oxo-6-propyl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 2-oxo-6-propyl-1H-pyridine-3-carbonitrile is CCCc1ccc(C#N)c(=O)[nH]1.
What is the InChIKey of 2-oxo-6-propyl-1H-pyridine-3-carbonitrile?
The InChIKey is NYORYBPIOLYYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O/c1-2-3-8-5-4-7(6-10)9(12)11-8/h4-5H,2-3H2,1H3,(H,11,12).
What are the key properties of 2-oxo-6-propyl-1H-pyridine-3-carbonitrile?
2-oxo-6-propyl-1H-pyridine-3-carbonitrile has a molecular weight of 162.19 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-propyl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 14490487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).