Basic information
- Standard SMILES
COc1nc(NCCN)ccc1[N+](=O)[O-]- InChIKey
OKRVVSLRYJBBMU-UHFFFAOYSA-N- Molecular formula
- C8H12N4O3
- Average molar mass
- 212.21 g/mol
- Monoisotopic mass
- 212.09094026
Names & identifiers
- Preferred name
- (2-[(6-Methoxy-5-nitro(2-pyridyl))amino]-ethyl}amine
- IUPAC
- N'-(6-methoxy-5-nitro-2-pyridinyl)ethane-1,2-diamine
Names & synonyms
SCHEMBL5553628OKRVVSLRYJBBMU-UHFFFAOYSA-N(2-[(6-methoxy-5-nitro(2-pyridyl))amino]-ethyl}amine
Database identifiers
- PubChem CID
- 69485063
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 209
Related reactions
1 records
Compound notes
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