tert-Butyl 6-bromo-3',6'-dihydro-2,4'-bipyridine-1'(2'H)-carboxylate
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC=C(c2cccc(Br)n2)CC1- InChIKey
XPCOMGQZULAPHO-UHFFFAOYSA-N- Molecular formula
- C15H19BrN2O2
- Average molar mass
- 339.23 g/mol
Names & identifiers
- Preferred name
- tert-Butyl 6-bromo-3',6'-dihydro-2,4'-bipyridine-1'(2'H)-carboxylate
- IUPAC
- tert-butyl 4-(6-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate
Names & synonyms
tert-Butyl 6-bromo-3',6'-dihydro-2,4'-bipyridine-1'(2'H)-carboxylateSCHEMBL5337565XPCOMGQZULAPHO-UHFFFAOYSA-N6-Bromo-3',6'-dihydro-2'H-[2,4']bipyridinyl-1'-carboxylic acid tert-butyl ester6-bromo-3',6'-dihydro-2'H-[2,4']bipyridinyl-1'-carboxylic acid, tert-butyl ester
Database identifiers
- PubChem CID
- 86614830
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 390
Related reactions
5 records
Compound notes
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