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Basic information
- Standard SMILES
CCOC(=O)c1cnc(NC)c([N+](=O)[O-])c1- InChIKey
VJPJCPJJLSOTJD-UHFFFAOYSA-N- Molecular formula
- C9H11N3O4
- Average molar mass
- 225.2 g/mol
- Monoisotopic mass
- 225.07495584
Names & identifiers
- Preferred name
- 6-Methylamino-5-nitro-nicotinic acid ethyl ester
- IUPAC
- ethyl 6-(methylamino)-5-nitropyridine-3-carboxylate
Names & synonyms
6-Methylamino-5-nitro-nicotinic acid ethyl ester1218943-25-9SCHEMBL2248162VJPJCPJJLSOTJD-UHFFFAOYSA-NDB-1693596-(Methylamino)-5-nitro-3-pyridinecarboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 67333371
Properties
Computed structural propertiesFilling in
- XLogP
- 1.8
- Topological polar surface area
- 97 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 266
Related reactions
2 records
Compound notes
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