6-Bromo-4-(trichloromethyl)pyridin-2(1H)-one
Basic information
- CAS
91416-07-8- Standard SMILES
O=c1cc(C(Cl)(Cl)Cl)cc(Br)[nH]1- InChIKey
ZMOVTNUIKBVMBE-UHFFFAOYSA-N- Molecular formula
- C6H3BrCl3NO
- Average molar mass
- 291.4 g/mol
- Monoisotopic mass
- 288.84636
Names & identifiers
- Preferred name
- 6-Bromo-4-(trichloromethyl)pyridin-2(1H)-one
- IUPAC
- 6-bromo-4-(trichloromethyl)-1H-pyridin-2-one
Names & synonyms
91416-07-86-Bromo-4-(trichloromethyl)pyridin-2(1H)-oneSCHEMBL11103761DTXSID30607400
Database identifiers
- CAS
91416-07-8- PubChem CID
- 20455697
- DTXSID
DTXSID30607400
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 279
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Compound notes
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