Basic information
- Standard SMILES
COC(=O)c1cc(Br)nc(-c2ccc(OC)nc2)c1N- InChIKey
FRVGRQXZSZZWAH-UHFFFAOYSA-N- Molecular formula
- C13H12BrN3O3
- Average molar mass
- 338.16 g/mol
- Monoisotopic mass
- 337.0062
Names & identifiers
- Preferred name
- Methyl 3-amino-6-bromo-6'-methoxy-2,3'-bipyridine-4-carboxylate
- IUPAC
- methyl 3-amino-6-bromo-2-(6-methoxy-3-pyridinyl)pyridine-4-carboxylate
Names & synonyms
SCHEMBL139273FRVGRQXZSZZWAH-UHFFFAOYSA-Nmethyl 3-amino-6-bromo-6'-methoxy-2,3'-bipyridine-4-carboxylate
Database identifiers
- PubChem CID
- 86663007
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 345
Related reactions
2 records
Compound notes
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