6-(1,7-Dihydro-4H-pyrrolo[2,3-b]pyridin-4-ylidene)cyclohexa-2,4-dien-1-one
Basic information
- CAS
916174-48-6- Standard SMILES
Oc1ccccc1-c1ccnc2[nH]ccc12- InChIKey
FNBIVYGIAVNNFV-UHFFFAOYSA-N- Molecular formula
- C13H10N2O
- Average molar mass
- 210.23 g/mol
- Monoisotopic mass
- 210.07931295
Names & identifiers
- Preferred name
- 6-(1,7-Dihydro-4H-pyrrolo[2,3-b]pyridin-4-ylidene)cyclohexa-2,4-dien-1-one
- IUPAC
- 2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenol
Names & synonyms
916174-48-66-(1,7-Dihydro-4H-pyrrolo[2,3-b]pyridin-4-ylidene)cyclohexa-2,4-dien-1-one2-(1H-pyrrolo[2,3-b]pyridin-4-yl)phenol2-{1H-pyrrolo[2,3-b]pyridin-4-yl}phenolPhenol, 2-(1H-pyrrolo[2,3-b]pyridin-4-yl)-SCHEMBL857435SCHEMBL16720891SCHEMBL16720892DTXSID60735826EBC-551142
Database identifiers
- CAS
916174-48-6- PubChem CID
- 136124202
- DTXSID
DTXSID60735826
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 48.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 246
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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