Basic information
- Standard SMILES
Cc1cc([C@H](C)NC(=O)OC(C)(C)C)ncc1Br- InChIKey
HTYAJBOAMRQSSE-VIFPVBQESA-N- Molecular formula
- C13H19BrN2O2
- Average molar mass
- 315.21 g/mol
Names & identifiers
- Preferred name
- (S)-tert-butyl (1-(5-bromo-4-methylpyridin-2-yl)ethyl)carbamate
- IUPAC
- tert-butyl N-[(1S)-1-(5-bromo-4-methyl-2-pyridinyl)ethyl]carbamate
Names & synonyms
1628106-73-9(S)-tert-butyl (1-(5-bromo-4-methylpyridin-2-yl)ethyl)carbamatetert-butyl N-[(1S)-1-(5-bromo-4-methyl-2-pyridyl)ethyl]carbamatetert-butyl N-[(1S)-1-(5-bromo-4-methylpyridin-2-yl)ethyl]carbamateSCHEMBL16088897SCHEMBL30325191HTYAJBOAMRQSSE-VIFPVBQESA-NH84616(S)-tert-butyl(1-(5-bromo-4-methylpyridin-2-yl)ethyl)carbamateTert-butyl (S)-(1-(5-bromo-4-methylpyridin-2-yl)ethyl)carbamate
Database identifiers
- PubChem CID
- 90451674
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 291
Related reactions
1 records
Compound notes
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