Basic information
- Standard SMILES
COC(=O)c1ccc(-c2nc(Br)cc(C(=O)OC)c2N)cc1- InChIKey
SHRHSJUQVNWNIB-UHFFFAOYSA-N- Molecular formula
- C15H13BrN2O4
- Average molar mass
- 365.18 g/mol
Names & identifiers
- Preferred name
- Methyl 3-amino-6-bromo-2-(4-(methoxycarbonyl)phenyl)isonicotinate
- IUPAC
- methyl 3-amino-6-bromo-2-(4-methoxycarbonylphenyl)pyridine-4-carboxylate
Names & synonyms
SCHEMBL139223SHRHSJUQVNWNIB-UHFFFAOYSA-Nmethyl 3-amino-6-bromo-2-(4-(methoxycarbonyl)phenyl)-isonicotinatemethyl 3-amino-6-bromo-2-(4-(methoxycarbonyl)phenyl)isonicotinate
Database identifiers
- PubChem CID
- 86663017
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 91.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 412
Related reactions
2 records
Compound notes
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