Basic information
- Standard SMILES
CCOC(=O)c1cc(C)ccc1Nc1cnc(Br)c(C)c1- InChIKey
UZKZIYUMFARKGE-UHFFFAOYSA-N- Molecular formula
- C16H17BrN2O2
- Average molar mass
- 349.22 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-(6-bromo-5-methylpyridin-3-ylamino)-5-methylbenzoate
- IUPAC
- ethyl 2-[(6-bromo-5-methyl-3-pyridinyl)amino]-5-methylbenzoate
Names & synonyms
SCHEMBL2404031UZKZIYUMFARKGE-UHFFFAOYSA-NEthyl 2-(6-bromo-5-methylpyridin-3-ylamino)-5-methylbenzoate
Database identifiers
- PubChem CID
- 86657258
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 353
Related reactions
2 records
Compound notes
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