Basic information
- Standard SMILES
COC(=O)Cc1cc(N2CCN(C)CC2)cnc1[N+](=O)[O-]- InChIKey
XJRFVDVHFMIJSU-UHFFFAOYSA-N- Molecular formula
- C13H18N4O4
- Average molar mass
- 294.31 g/mol
Names & identifiers
- Preferred name
- [5-(4-Methyl-piperazin-1-yl)-2-nitro-pyridin-3-yl]-acetic acid methyl ester
- IUPAC
- methyl 2-[5-(4-methylpiperazin-1-yl)-2-nitro-3-pyridinyl]acetate
Names & synonyms
SCHEMBL990666XJRFVDVHFMIJSU-UHFFFAOYSA-N[5-(4-Methyl-piperazin-1-yl)-2-nitro-pyridin-3-yl]-acetic acid methyl ester
Database identifiers
- PubChem CID
- 66869293
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 91.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 379
Related reactions
4 records
Compound notes
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