Basic information
- Standard SMILES
COc1ccc(CNc2cc(Br)ncc2N)cc1- InChIKey
USJZRBIDEQXVRD-UHFFFAOYSA-N- Molecular formula
- C13H14BrN3O
- Average molar mass
- 308.17 g/mol
Names & identifiers
- Preferred name
- N4-(4-methoxybenzyl)-6-bromopyridine-3,4-diamine
- IUPAC
- 6-bromo-4-N-[(4-methoxyphenyl)methyl]pyridine-3,4-diamine
Names & synonyms
SCHEMBL12984413USJZRBIDEQXVRD-UHFFFAOYSA-NN4-(4-methoxybenzyl)-6-bromopyridine-3,4-diamine
Database identifiers
- PubChem CID
- 56926367
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 60.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 246
Related reactions
3 records
Compound notes
Loading…