2-Iodopyridin-3-yl benzoate
Completing data — refresh the page later to see the latest
Basic information
- CAS
245039-51-4- Standard SMILES
O=C(Oc1cccnc1I)c1ccccc1- InChIKey
ZJTIOGJLRSERNL-UHFFFAOYSA-N- Molecular formula
- C12H8INO2
- Average molar mass
- 325.1 g/mol
- Monoisotopic mass
- 324.95998
Names & identifiers
- Preferred name
- 2-Iodopyridin-3-yl benzoate
- IUPAC
- (2-iodo-3-pyridinyl) benzoate
- English name
- 2-IODO-3-PYRIDINYL BENZENECARBOXYLATE
- Molecular formula
- C12H8INO2
- Molecular weight
- 325.1
Names & synonyms
2-iodopyridin-3-yl benzoate245039-51-4(2-iodopyridin-3-yl) benzoateBionet2_0015122-iodopyridin-3-ylbenzoateOprea1_366856DTXSID101301274HMS1368F083-Pyridinol, 2-iodo-, 3-benzoateAKOS00507423410E-9632-IODO-3-PYRIDINYL BENZENECARBOXYLATE
Database identifiers
- CAS
245039-51-4- PubChem CID
- 1473350
- DTXSID
DTXSID101301274
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…