Tert-butyl 2-(2-bromo-5-chloropyridin-3-ylamino)-5-methylbenzoate
Basic information
- Standard SMILES
Cc1ccc(Nc2cc(Cl)cnc2Br)c(C(=O)OC(C)(C)C)c1- InChIKey
TUYFMIXHJPTKBX-UHFFFAOYSA-N- Molecular formula
- C17H18BrClN2O2
- Average molar mass
- 397.7 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 2-(2-bromo-5-chloropyridin-3-ylamino)-5-methylbenzoate
- IUPAC
- tert-butyl 2-[(2-bromo-5-chloro-3-pyridinyl)amino]-5-methylbenzoate
Names & synonyms
SCHEMBL2408546TUYFMIXHJPTKBX-UHFFFAOYSA-Ntert-butyl 2-(2-bromo-5-chloropyridin-3-ylamino)-5-methylbenzoate
Database identifiers
- PubChem CID
- 58415802
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 416
Related reactions
1 records
Compound notes
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