2-[4-(Benzyloxy)phenyl]-5-bromo-1H-pyrrolo[2,3-b]pyridine
Basic information
- CAS
953414-76-1- Standard SMILES
Brc1cnc2[nH]c(-c3ccc(OCc4ccccc4)cc3)cc2c1- InChIKey
ZKAUHNDQIZCQNL-UHFFFAOYSA-N- Molecular formula
- C20H15BrN2O
- Average molar mass
- 379.2 g/mol
- Monoisotopic mass
- 378.03678
Names & identifiers
- Preferred name
- 2-[4-(Benzyloxy)phenyl]-5-bromo-1H-pyrrolo[2,3-b]pyridine
- IUPAC
- 5-bromo-2-(4-phenylmethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
Names & synonyms
2-[4-(Benzyloxy)phenyl]-5-bromo-1H-pyrrolo[2,3-b]pyridineDTXSID2011814655-Bromo-2-[4-(phenylmethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine953414-76-1
Database identifiers
- CAS
953414-76-1- PubChem CID
- 102413627
- DTXSID
DTXSID201181465- Nikkaji
- J2.655.903K
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 37.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 393
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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