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

C9H7BrN2O — CID 74654443

IUPAC5-bromo-6-cyclopropyl-2-oxo-3H-pyridine-3-carbonitrile
SMILESN#CC1C=C(Br)C(C2CC2)=NC1=O
InChIInChI=1S/C9H7BrN2O/c10-7-3-6(4-11)9(13)12-8(7)5-1-2-5/h3,5-6H,1-2H2
InChIKeyDADMVLPWLXTZLI-UHFFFAOYSA-N
MW239.07 g/mol
LogP1.80
Rot. Bonds1

About 5-bromo-6-cyclopropyl-2-oxo-3H-pyridine-3-carbonitrile

5-bromo-6-cyclopropyl-2-oxo-3H-pyridine-3-carbonitrile (PubChem CID 74654443) has the molecular formula C9H7BrN2O and a molecular weight of 239.07 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-2-oxo-3H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-2-oxo-3H-pyridine-3-carbonitrile
PubChem CID74654443
Molecular FormulaC9H7BrN2O
Molecular Weight239.07 g/mol
Exact Mass237.97
IUPAC Name5-bromo-6-cyclopropyl-2-oxo-3H-pyridine-3-carbonitrile
SMILESN#CC1C=C(Br)C(C2CC2)=NC1=O
InChIInChI=1S/C9H7BrN2O/c10-7-3-6(4-11)9(13)12-8(7)5-1-2-5/h3,5-6H,1-2H2
InChIKeyDADMVLPWLXTZLI-UHFFFAOYSA-N
XLogP1.80
TPSA53.22 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.07
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-2-oxo-3H-pyridine-3-carbonitrile?
The IUPAC name of 5-bromo-6-cyclopropyl-2-oxo-3H-pyridine-3-carbonitrile (CID 74654443) is 5-bromo-6-cyclopropyl-2-oxo-3H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-bromo-6-cyclopropyl-2-oxo-3H-pyridine-3-carbonitrile?
The canonical SMILES for 5-bromo-6-cyclopropyl-2-oxo-3H-pyridine-3-carbonitrile is N#CC1C=C(Br)C(C2CC2)=NC1=O.
What is the InChIKey of 5-bromo-6-cyclopropyl-2-oxo-3H-pyridine-3-carbonitrile?
The InChIKey is DADMVLPWLXTZLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O/c10-7-3-6(4-11)9(13)12-8(7)5-1-2-5/h3,5-6H,1-2H2.
What are the key properties of 5-bromo-6-cyclopropyl-2-oxo-3H-pyridine-3-carbonitrile?
5-bromo-6-cyclopropyl-2-oxo-3H-pyridine-3-carbonitrile has a molecular weight of 239.07 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopropyl-2-oxo-3H-pyridine-3-carbonitrile is sourced from PubChem (CID 74654443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).