3-Bromo-6-chloro-1-methyl-1H-pyrazolo[3,4-b]pyridine
Basic information
- CAS
1781008-16-9- Standard SMILES
Cn1nc(Br)c2ccc(Cl)nc21- InChIKey
AZUZTEJTDAMFPT-UHFFFAOYSA-N- Molecular formula
- C7H5BrClN3
- Average molar mass
- 246.49 g/mol
Names & identifiers
- Preferred name
- 3-Bromo-6-chloro-1-methyl-1H-pyrazolo[3,4-b]pyridine
- IUPAC
- 3-bromo-6-chloro-1-methylpyrazolo[5,4-b]pyridine
- English name
- 3-Bromo-6-chloro-1-methyl-1H-pyrazolo[3,4-b]pyridine
- Molecular formula
- C7H5BrClN3
- Molecular weight
- 246.49
Names & synonyms
3-Bromo-6-chloro-1-methyl-1H-pyrazolo[3,4-b]pyridine1781008-16-93-bromo-6-chloro-1-methylpyrazolo[3,4-b]pyridineSCHEMBL316330201H-Pyrazolo[3,4-b]pyridine, 3-bromo-6-chloro-1-methyl-
Database identifiers
- CAS
1781008-16-9
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 180
Physicochemical properties
- Boiling point
- 337.8 · 337.8±37.0 °C(Predicted)
- Density
- 1.9 · 1.90±0.1 g/cm3(Predicted)
- pka
- 0.24 · 0.24±0.30(Predicted)
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Compound notes
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