Basic information
- CAS
1425334-90-2- Standard SMILES
COc1ncc(Br)cc1NC(=O)C(F)(F)F- InChIKey
NZHSVAVVOOMHTG-UHFFFAOYSA-N- Molecular formula
- C8H6BrF3N2O2
- Average molar mass
- 299.04 g/mol
- Monoisotopic mass
- 297.95647
Names & identifiers
- Preferred name
- N-(5-bromo-2-methoxypyridin-3-yl)-2,2,2-trifluoroacetamide
- IUPAC
- N-(5-bromo-2-methoxy-3-pyridinyl)-2,2,2-trifluoroacetamide
- English name
- N-(5-broMo-2-Methoxypyridin-3-yl)-2,2,2-trifluoroacetaMide
- Molecular formula
- C8H6BrF3N2O2
- Molecular weight
- 299.04
Names & synonyms
N-(5-bromo-2-methoxypyridin-3-yl)-2,2,2-trifluoroacetamide1425334-90-2Acetamide, N-(5-bromo-2-methoxy-3-pyridinyl)-2,2,2-trifluoro-N-(5-Bromo-2-methoxy-3-pyridinyl)-2,2,2-trifluoroacetamideDTXSID401192234
Database identifiers
- CAS
1425334-90-2- PubChem CID
- 71304512
- DTXSID
DTXSID401192234
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 51.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 262
Physicochemical properties
- Boiling point
- 279.8 · 279.8±40.0 °C(Predicted)
- Density
- 1.735 · 1.735±0.06 g/cm3(Predicted)
- pka
- 7.82 · 7.82±0.70(Predicted)
Chemistry & industry
Suppliers3 total
浙江雅辰药物科技股份有限公司13674959855 13674959855 · [email protected]
郑州药领医药科技有限公司13526569071 · [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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