Basic information
- Standard SMILES
COc1ccc(CN2CCN(c3c(Br)cnc(N)c3[N+](=O)[O-])CC2)cn1- InChIKey
QKRWQNFLIVXUFZ-UHFFFAOYSA-N- Molecular formula
- C16H19BrN6O3
- Average molar mass
- 423.26 g/mol
- Monoisotopic mass
- 422.0702
Names & identifiers
- Preferred name
- 5-Bromo-4-(4-((6-methoxypyridin-3-yl)methyl)piperazin-1-yl)-3-nitropyridin-2-amine
- IUPAC
- 5-bromo-4-[4-[(6-methoxy-3-pyridinyl)methyl]piperazin-1-yl]-3-nitropyridin-2-amine
Names & synonyms
SCHEMBL209309QKRWQNFLIVXUFZ-UHFFFAOYSA-N5-Bromo-4-(4-((6-methoxypyridin-3-yl)methyl)piperazin-1-yl)-3-nitropyridin-2-amine
Database identifiers
- PubChem CID
- 57897154
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 473
Related reactions
3 records
Compound notes
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