2-Methyl-5-nitroquinolin-4(1H)-one
Basic information
- CAS
64334-93-6- Standard SMILES
Cc1cc(=O)c2c([N+](=O)[O-])cccc2[nH]1- InChIKey
IOKTYQOIMQSJPW-UHFFFAOYSA-N- Molecular formula
- C10H8N2O3
- Average molar mass
- 204.18 g/mol
- Monoisotopic mass
- 204.05349212
Names & identifiers
- Preferred name
- 2-Methyl-5-nitroquinolin-4(1H)-one
- IUPAC
- 2-methyl-5-nitro-1H-quinolin-4-one
- English name
- 5-NITRO-2-METHYL-4-(1H)-QUINOLONE
- Molecular formula
- C10H8N2O3
- Molecular weight
- 204.18
Names & synonyms
2-Methyl-5-nitroquinolin-4(1H)-one64334-93-62-methyl-5-nitro-1H-quinolin-4-oneDTXSID804407285-Nitro-2-methyl-4-(1h)-quinoloneDB-3177684(1H)-Quinolinone, 2-methyl-5-nitro-
Database identifiers
- CAS
64334-93-6- PubChem CID
- 10488397
- DTXSID
DTXSID80440728
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 74.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 332
Physicochemical properties
- Melting point
- 300 °C · >300 °C
- Boiling point
- 352.4 · 352.4±42.0 °C(Predicted)
- Density
- 1.344 · 1.344±0.06 g/cm3(Predicted)
- pka
- 0.68 · 0.68±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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