Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC=C(c2ccc(Br)cc2)CC1- InChIKey
UTTKOPGVQIWTCJ-UHFFFAOYSA-N- Molecular formula
- C16H20BrNO2
- Average molar mass
- 338.24 g/mol
Names & identifiers
- Preferred name
- Tert-butyl 4-(4-bromophenyl)-3,6-dihydropyridine-1(2h)-carboxylate
- IUPAC
- tert-butyl 4-(4-bromophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate
Names & synonyms
273727-44-9tert-butyl 4-(4-bromophenyl)-3,6-dihydropyridine-1(2h)-carboxylateTert-butyl 4-(4-bromophenyl)-5,6-dihydropyridine-1(2H)-carboxylateMFCD12400942tert-butyl 4-(4-bromophenyl)-3,6-dihydro-2H-pyridine-1-carboxylate4-(4-Bromo-phenyl)-3,6-dihydro-2H-pyridine-1-carboxylic Acid Tert-Butyl Ester1(2H)-Pyridinecarboxylic acid, 4-(4-bromophenyl)-3,6-dihydro-,1,1-dimethylethyl esterSCHEMBL578028UTTKOPGVQIWTCJ-UHFFFAOYSA-NAS-94494SY021420DB-321609
Show more names
CS-01457871-Boc-4-(4-bromophenyl)-3,6-dihydropyridineF470450N-Boc-4-(4-bromophenyl)-1,2,3,6-tetrahydropyridineTert-butyl4-(4-bromophenyl)-5,6-dihydropyridine-1(2H)-carboxylatetert-butyl 4-(4-bromophenyl)-1,2,3,6-tetrahydropyridine-1-carboxylate4-(4-Bromo-phenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid t-butyl ester4-(4-Bromophenyl)-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 54371851
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 378
Related reactions
10 records
Compound notes
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