4-(Benzyloxy)-3-iodo-1H-pyrrolo[2,3-b]pyridine
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Basic information
- CAS
1227270-65-6- Standard SMILES
Ic1c[nH]c2nccc(OCc3ccccc3)c12- InChIKey
MDJCZFWKMPSCSL-UHFFFAOYSA-N- Molecular formula
- C14H11IN2O
- Average molar mass
- 350.15 g/mol
- Monoisotopic mass
- 349.99161
Names & identifiers
- Preferred name
- 4-(Benzyloxy)-3-iodo-1H-pyrrolo[2,3-b]pyridine
- IUPAC
- 3-iodo-4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridine
- English name
- 3-Iodo-4-benzyloxy-7-azaindole
- Molecular formula
- C14H11IN2O
- Molecular weight
- 350.15
Names & synonyms
1227270-65-64-(Benzyloxy)-3-iodo-1H-pyrrolo[2,3-b]pyridine3-Iodo-4-benzyloxy-7-azaindole3-iodo-4-phenylmethoxy-1H-pyrrolo[2,3-b]pyridineSCHEMBL14837368DTXSID50744806AKOS016010803DB-3483151H-Pyrrolo[2,3-b]pyridine, 3-iodo-4-(phenylmethoxy)-
Database identifiers
- CAS
1227270-65-6- PubChem CID
- 71302995
- DTXSID
DTXSID50744806
Properties
Computed structural propertiesFilling in
- XLogP
- 3.4
- Topological polar surface area
- 37.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 271
Physicochemical properties
- Density
- 1.734 · 1.734±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 12.55 · 12.55±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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