Basic information
- CAS
1227579-45-4- Standard SMILES
COc1cc(Br)ncc1C(F)(F)F- InChIKey
IRNAIICCZZKNRQ-UHFFFAOYSA-N- Molecular formula
- C7H5BrF3NO
- Average molar mass
- 256.02 g/mol
- Monoisotopic mass
- 254.95066
Names & identifiers
- Preferred name
- 2-Bromo-4-methoxy-5-(trifluoromethyl)pyridine
- IUPAC
- 2-bromo-4-methoxy-5-(trifluoromethyl)pyridine
- English name
- 2-Bromo-4-methoxy-5-(trifluoromethyl)pyridine
- Molecular formula
- C7H5BrF3NO
- Molecular weight
- 256.02
Names & synonyms
2-Bromo-4-methoxy-5-(trifluoromethyl)pyridine1227579-45-4SCHEMBL19616299IRNAIICCZZKNRQ-UHFFFAOYSA-NDTXSID801253141CS-46298Pyridine, 2-bromo-4-methoxy-5-(trifluoromethyl)-
Database identifiers
- CAS
1227579-45-4- PubChem CID
- 92134635
- DTXSID
DTXSID801253141
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 176
Physicochemical properties
- Boiling point
- 261.8 · 261.8±40.0 °C(Predicted)
- Density
- 1.637 · 1.637±0.06 g/cm3(Predicted)
- pka
- -0.34 · -0.34±0.18(Predicted)
Chemistry & industry
Suppliers5 total
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
康姆芘法思（上海）生物科技有限公司021-65232103 17602124823 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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