Basic information
- CAS
1273566-14-5- Standard SMILES
CC(C)(C)OC(=O)N1CC(c2ncn3ccc(Br)cc23)C1- InChIKey
UJJGJWFQCMAYRH-UHFFFAOYSA-N- Molecular formula
- C15H18BrN3O2
- Average molar mass
- 352.23 g/mol
- Monoisotopic mass
- 351.05824
Names & identifiers
- Preferred name
- Tert-butyl 3-(7-bromoimidazo[1,5-a]pyridin-1-yl)azetidine-1-carboxylate
- IUPAC
- tert-butyl 3-(7-bromoimidazo[1,5-a]pyridin-1-yl)azetidine-1-carboxylate
- English name
- 1-Azetidin-3-Yl-7-Bromo-Imidazo[1,5-A]Pyridine
- Molecular formula
- C15H18BrN3O2
- Molecular weight
- 352.23
Names & synonyms
tert-butyl 3-(7-bromoimidazo[1,5-a]pyridin-1-yl)azetidine-1-carboxylatetert-butyl 3-{7-bromoimidazo[1,5-a]pyridin-1-yl}azetidine-1-carboxylateMFCD18792429AKOS037647207AS-72841W151301-Azetidin-3-Yl-7-Bromo-Imidazo[1,5-A]Pyridine1-Azetidin-3-Yl-7-Bromo-Imidazo[1,5-A]Pyridine(WX165039)1-Azetidinecarboxylic acid, 3-(7-bromoimidazo[1,5-a]pyridin-1-yl)-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1273566-14-5- PubChem CID
- 71305377
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 46.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 406
Physicochemical properties
- Density
- 1.5 · 1.50±0.1 g/cm3(Predicted)
- pka
- 6.29 · 6.29±0.30(Predicted)
Chemistry & industry
Suppliers6 total
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上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
宁波振岳医药科技有限公司0086-19817745290; 19817745290 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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