Basic information
- CAS
1283337-50-7- Standard SMILES
CC1CCCN(S(=O)(=O)c2cncc(Br)c2)C1- InChIKey
GVFRAFHAGVYPGN-UHFFFAOYSA-N- Molecular formula
- C11H15BrN2O2S
- Average molar mass
- 319.22 g/mol
- Monoisotopic mass
- 318.00376
Names & identifiers
- Preferred name
- 3-Bromo-5-(3-methylpiperidin-1-ylsulfonyl)pyridine
- IUPAC
- 3-bromo-5-(3-methylpiperidin-1-yl)sulfonylpyridine
- English name
- 3-broMo-5-(3-Methylpiperidin-1-ylsulfonyl)pyridine
- Molecular formula
- C11H15BrN2O2S
- Molecular weight
- 319.22
Names & synonyms
3-bromo-5-(3-methylpiperidin-1-ylsulfonyl)pyridine1283337-50-73-bromo-5-(3-methylpiperidin-1-yl)sulfonylpyridine3-Bromo-5-((3-methylpiperidin-1-yl)sulfonyl)pyridineAKOS010961686A1-51331Pyridine, 3-bromo-5-[(3-methyl-1-piperidinyl)sulfonyl]-
Database identifiers
- CAS
1283337-50-7- PubChem CID
- 61694270
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 355
Physicochemical properties
- Boiling point
- 421 · 421.0±55.0 °C(Predicted)
- Density
- 1.49 · 1.490±0.06 g/cm3(Predicted)
- pka
- 0.75 · 0.75±0.21(Predicted)
Chemistry & industry
Suppliers1 total
郑州药领医药科技有限公司13526569071 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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