Basic information
- Standard SMILES
COC(=O)c1cc(Br)nc(-c2ccc(OC)c(Cl)c2)c1N=[N+]=[N-]- InChIKey
IXOQVKJUMOBBSU-UHFFFAOYSA-N- Molecular formula
- C14H10BrClN4O3
- Average molar mass
- 397.61 g/mol
Names & identifiers
- Preferred name
- Methyl 3-azido-6-bromo-2-(3-chloro-4-methoxyphenyl)isonicotinate
- IUPAC
- methyl 3-azido-6-bromo-2-(3-chloro-4-methoxyphenyl)pyridine-4-carboxylate
Names & synonyms
SCHEMBL15976008IXOQVKJUMOBBSU-UHFFFAOYSA-Nmethyl 3-azido-6-bromo-2-(3-chloro-4-methoxyphenyl)-isonicotinatemethyl 3-azido-6-bromo-2-(3-chloro-4-methoxyphenyl)isonicotinate
Database identifiers
- PubChem CID
- 86663014
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 62.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 477
Related reactions
2 records
Compound notes
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