4-(Methoxymethyl)-5-nitro-2-oxo-6-propyl-1,2-dihydropyridine-3-carbonitrile
Basic information
- CAS
5457-22-7- Standard SMILES
CCCc1[nH]c(=O)c(C#N)c(COC)c1[N+](=O)[O-]- InChIKey
VPZYNYOZFHGPMR-UHFFFAOYSA-N- Molecular formula
- C11H13N3O4
- Average molar mass
- 251.24 g/mol
- Monoisotopic mass
- 251.0906059
Names & identifiers
- Preferred name
- 4-(Methoxymethyl)-5-nitro-2-oxo-6-propyl-1,2-dihydropyridine-3-carbonitrile
- IUPAC
- 4-(methoxymethyl)-5-nitro-2-oxo-6-propyl-1H-pyridine-3-carbonitrile
- English name
- 4-(methoxymethyl)-5-nitro-2-oxo-6-propyl-1H-pyridine-3-carbonitrile
- Molecular formula
- C11H13N3O4
- Molecular weight
- 0
Names & synonyms
5457-22-74-(methoxymethyl)-5-nitro-2-oxo-6-propyl-1H-pyridine-3-carbonitrileNSC238064-(methoxymethyl)-5-nitro-2-oxo-6-propyl-1,2-dihydropyridine-3-carbonitrileDTXSID60282007NSC 23806NSC-23806
Database identifiers
- CAS
5457-22-7- PubChem CID
- 229814
- DTXSID
DTXSID60282007
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 490
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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