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

C9H8N2O — CID 14677000

IUPAC6-cyclopropyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1ccc(C2CC2)[nH]c1=O
InChIInChI=1S/C9H8N2O/c10-5-7-3-4-8(6-1-2-6)11-9(7)12/h3-4,6H,1-2H2,(H,11,12)
InChIKeyBQYXOZOSMCJKKJ-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.12
Rot. Bonds1

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

6-cyclopropyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 14677000) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 6-cyclopropyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-cyclopropyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID14677000
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name6-cyclopropyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1ccc(C2CC2)[nH]c1=O
InChIInChI=1S/C9H8N2O/c10-5-7-3-4-8(6-1-2-6)11-9(7)12/h3-4,6H,1-2H2,(H,11,12)
InChIKeyBQYXOZOSMCJKKJ-UHFFFAOYSA-N
XLogP1.12
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-cyclopropyl-2-oxo-1H-pyridine-3-carbonitrile (CID 14677000) is 6-cyclopropyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-cyclopropyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-cyclopropyl-2-oxo-1H-pyridine-3-carbonitrile is N#Cc1ccc(C2CC2)[nH]c1=O.
What is the InChIKey of 6-cyclopropyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is BQYXOZOSMCJKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c10-5-7-3-4-8(6-1-2-6)11-9(7)12/h3-4,6H,1-2H2,(H,11,12).
What are the key properties of 6-cyclopropyl-2-oxo-1H-pyridine-3-carbonitrile?
6-cyclopropyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 160.18 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 14677000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).