Completing data — usually done within a minute
Basic information
- CAS
1310949-57-5- Standard SMILES
COc1ccc(COc2ccc(I)nc2Br)cc1- InChIKey
ZTBLIOYVMVSBGW-UHFFFAOYSA-N- Molecular formula
- C13H11BrINO2
- Average molar mass
- 420.04 g/mol
- Monoisotopic mass
- 418.90178869
Names & identifiers
- Preferred name
- 2-Bromo-6-iodo-3-[(4-methoxybenzyl)oxy]pyridine
- IUPAC
- 2-bromo-6-iodo-3-[(4-methoxyphenyl)methoxy]pyridine
Names & synonyms
1310949-57-52-BROMO-6-IODO-3-[(4-METHOXYPHENYL)METHOXY]PYRIDINE2-bromo-6-iodo-3-[(4-methoxybenzyl)oxy]pyridine2-Bromo-6-iodo-3-((4-methoxybenzyl)oxy)pyridineSCHEMBL2415179ZTBLIOYVMVSBGW-UHFFFAOYSA-NDTXSID401223465MFCD28675351DA-46209A1-39428Pyridine, 2-bromo-6-iodo-3-[(4-methoxyphenyl)methoxy]-
Database identifiers
- CAS
1310949-57-5- PubChem CID
- 86658005
- DTXSID
DTXSID401223465
Properties
Computed structural propertiesFilling in
- XLogP
- 4
- Topological polar surface area
- 31.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 249
Related reactions
2 records
Compound notes
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