Basic information
- CAS
1393532-96-1- Standard SMILES
CC(=O)c1cc(I)cc(C)n1- InChIKey
PSHUBIWIIKEKJE-UHFFFAOYSA-N- Molecular formula
- C8H8INO
- Average molar mass
- 261.06 g/mol
- Monoisotopic mass
- 260.96506
Names & identifiers
- Preferred name
- 1-(4-Iodo-6-methylpyridin-2-yl)ethan-1-one
- IUPAC
- 1-(4-iodo-6-methyl-2-pyridinyl)ethanone
Names & synonyms
1-(4-Iodo-6-methylpyridin-2-yl)ethan-1-one1393532-96-1DTXSID401267542AB79831Ethanone, 1-(4-iodo-6-methyl-2-pyridinyl)-1-(4-IODO-6-METHYLPYRIDIN-2-YL)ETHANONE
Database identifiers
- CAS
1393532-96-1- PubChem CID
- 72215838
- DTXSID
DTXSID401267542
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 160
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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