Basic information
- Standard SMILES
C#Cc1c[nH]c(=O)c([N+](=O)[O-])c1C- InChIKey
LBMRWVVQZREANB-UHFFFAOYSA-N- Molecular formula
- C8H6N2O3
- Average molar mass
- 178.14 g/mol
Names & identifiers
- Preferred name
- 5-Ethynyl-4-methyl-3-nitro-2-pyridone
- IUPAC
- 5-ethynyl-4-methyl-3-nitro-1H-pyridin-2-one
Names & synonyms
SCHEMBL4679174LBMRWVVQZREANB-UHFFFAOYSA-N5-ethynyl-4-methyl-3-nitro-2-pyridone
Database identifiers
- PubChem CID
- 21706483
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 389
Related reactions
6 records
Compound notes
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