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

C9H8N2O — CID 72734068

IUPAC6-cyclopropyl-2-oxo-3H-pyridine-3-carbonitrile
SMILESN#CC1C=CC(C2CC2)=NC1=O
InChIInChI=1S/C9H8N2O/c10-5-7-3-4-8(6-1-2-6)11-9(7)12/h3-4,6-7H,1-2H2
InChIKeyHPJIAACJMXQAHX-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.07
Rot. Bonds1

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

6-cyclopropyl-2-oxo-3H-pyridine-3-carbonitrile (PubChem CID 72734068) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 6-cyclopropyl-2-oxo-3H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-cyclopropyl-2-oxo-3H-pyridine-3-carbonitrile
PubChem CID72734068
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name6-cyclopropyl-2-oxo-3H-pyridine-3-carbonitrile
SMILESN#CC1C=CC(C2CC2)=NC1=O
InChIInChI=1S/C9H8N2O/c10-5-7-3-4-8(6-1-2-6)11-9(7)12/h3-4,6-7H,1-2H2
InChIKeyHPJIAACJMXQAHX-UHFFFAOYSA-N
XLogP1.07
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2-methylpropyl)-2-oxo-3H-pyridine-3-carbonitrile
CID 13240379
2-oxo-6-propan-2-yl-3H-pyridine-3-carbonitrile
CID 15421492
5,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile
CID 71303629
6-tert-butyl-2-oxo-3H-pyridine-3-carbonitrile
CID 73177817
5-bromo-6-cyclopropyl-2-oxo-3H-pyridine-3-carbonitrile
CID 74654443
5-chloro-6-cyclopropyl-2-oxo-3H-pyridine-3-carbonitrile
CID 74654444
(3R)-5,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile
CID 124411116
(3S)-5,6-dimethyl-2-oxo-3H-pyridine-3-carbonitrile
CID 124411117

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-oxo-3H-pyridine-3-carbonitrile?
The IUPAC name of 6-cyclopropyl-2-oxo-3H-pyridine-3-carbonitrile (CID 72734068) is 6-cyclopropyl-2-oxo-3H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-cyclopropyl-2-oxo-3H-pyridine-3-carbonitrile?
The canonical SMILES for 6-cyclopropyl-2-oxo-3H-pyridine-3-carbonitrile is N#CC1C=CC(C2CC2)=NC1=O.
What is the InChIKey of 6-cyclopropyl-2-oxo-3H-pyridine-3-carbonitrile?
The InChIKey is HPJIAACJMXQAHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c10-5-7-3-4-8(6-1-2-6)11-9(7)12/h3-4,6-7H,1-2H2.
What are the key properties of 6-cyclopropyl-2-oxo-3H-pyridine-3-carbonitrile?
6-cyclopropyl-2-oxo-3H-pyridine-3-carbonitrile has a molecular weight of 160.18 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-oxo-3H-pyridine-3-carbonitrile is sourced from PubChem (CID 72734068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).