Basic information
- CAS
59892-44-3- Standard SMILES
O=c1ccc([N+](=O)[O-])cn1Cc1ccccc1- InChIKey
PSEMHQVFVHHFBK-UHFFFAOYSA-N- Molecular formula
- C12H10N2O3
- Average molar mass
- 230.22 g/mol
- Monoisotopic mass
- 230.06914219
Names & identifiers
- Preferred name
- 1-Benzyl-5-nitropyridin-2(1H)-one
- IUPAC
- 1-benzyl-5-nitropyridin-2-one
Names & synonyms
59892-44-31-benzyl-5-nitropyridin-2(1H)-oneDTXSID30304285RefChem:228127DTXCID002554171-benzyl-5-nitro-1,2-dihydropyridin-2-oneNSC165284SCHEMBL5925051PSEMHQVFVHHFBK-UHFFFAOYSA-N1-benzyl-5-nitro-1H-pyridin-2-oneAKOS001462695NSC-165284
Show more names
Z54672835
Database identifiers
- CAS
59892-44-3- PubChem CID
- 295681
- DTXSID
DTXSID30304285- Nikkaji
- J2.451.013A
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 66.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 376
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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