Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCCC1c1cncc(Br)c1- InChIKey
IWIPOXSHIIAUKI-UHFFFAOYSA-N- Molecular formula
- C14H19BrN2O2
- Average molar mass
- 327.22 g/mol
- Monoisotopic mass
- 326.06299
Names & identifiers
- Preferred name
- Tert-butyl 2-(5-bromopyridin-3-yl)pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl 2-(5-bromo-3-pyridinyl)pyrrolidine-1-carboxylate
Names & synonyms
tert-butyl 2-(5-bromopyridin-3-yl)pyrrolidine-1-carboxylate179120-81-1MFCD226817671-Pyrrolidinecarboxylic acid, 2-(5-bromo-3-pyridinyl)-,1,1-dimethylethyl esterIWIPOXSHIIAUKI-UHFFFAOYSA-NSCHEMBL6962727AT277061-Boc-2-(5-bromopyridin-3-yl)pyrrolidineDB-3215501-Boc-2-(5-bromo-pyridin-3-yl)-pyrrolidineEN300-2334655-bromo-3-(1-tert-butyloxycarbonyl-2-pyrrolidinyl)pyridine
Show more names
tert-butyl 2-(5-bromo-3-pyridyl)pyrrolidine-1-carboxylate5-bromo-3-(1-tert-butyloxycarbonyl -2-pyrrolidinyl)pyridine2-(5-Bromo-pyridin-3-yl)-pyrrolidine-1-carboxylic acid tert-butyl ester
Database identifiers
- PubChem CID
- 19694337
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 330
Related reactions
5 records
Compound notes
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