Basic information
- Standard SMILES
COC(=O)c1cc(Br)cc(Nc2cccnc2)c1- InChIKey
CYYPLLDKEGWGKP-UHFFFAOYSA-N- Molecular formula
- C13H11BrN2O2
- Average molar mass
- 307.14 g/mol
Names & identifiers
- Preferred name
- 3-Bromo-5-(pyridin-3-ylamino)-benzoic acid methyl ester
- IUPAC
- methyl 3-bromo-5-(pyridin-3-ylamino)benzoate
Names & synonyms
SCHEMBL3933990CYYPLLDKEGWGKP-UHFFFAOYSA-N3-Bromo-5-(pyridin-3-ylamino)-benzoic acid methyl ester
Database identifiers
- PubChem CID
- 57470985
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 288
Related reactions
2 records
Compound notes
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