7-hydroxy-2-methyl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile
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Basic information
- CAS
1375065-56-7- Standard SMILES
Cc1cc2nc(C(F)(F)F)c(C#N)c(O)c2[nH]1- InChIKey
YEDLNMWBWQYCJA-UHFFFAOYSA-N- Molecular formula
- C10H6F3N3O
- Average molar mass
- 241.17 g/mol
- Monoisotopic mass
- 241.04629631
Names & identifiers
- Preferred name
- 7-hydroxy-2-methyl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile
- IUPAC
- 2-methyl-7-oxo-5-(trifluoromethyl)-1,4-dihydropyrrolo[3,2-b]pyridine-6-carbonitrile
- English name
- 7-hydroxy-2-Methyl-5-(trifluoroMethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile
- Molecular formula
- C10H6F3N3O
- Molecular weight
- 241.17
Names & synonyms
7-hydroxy-2-methyl-5-(trifluoromethyl)-1H-pyrrolo[3,2-b]pyridine-6-carbonitrile1375065-56-72-methyl-7-oxo-5-(trifluoromethyl)-1,4-dihydropyrrolo[3,2-b]pyridine-6-carbonitrileWZG0054MFCD21606565SY288572DB-4001862-Methyl-7-oxo-5-(trifluoromethyl)-4,7-dihydro-4-azaindole-6-carbonitrile1H-Pyrrolo[3,2-b]pyridine-6-carbonitrile, 7-hydroxy-2-methyl-5-(trifluoromethyl)-
Database identifiers
- CAS
1375065-56-7- PubChem CID
- 138754217
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 445
Physicochemical properties
- Boiling point
- 420.6 · 420.6±45.0 °C(Predicted)
- Density
- 1.58 · 1.58±0.1 g/cm3(Predicted)
- pka
- 1.01 · 1.01±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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