1-benzyl-5-bromo-3-methyl-1H-pyrazolo[3,4-b]pyridine
Basic information
- CAS
1131121-64-6- Standard SMILES
Cc1nn(Cc2ccccc2)c2ncc(Br)cc12- InChIKey
VRYQSNURSDBYEX-UHFFFAOYSA-N- Molecular formula
- C14H12BrN3
- Average molar mass
- 302.17 g/mol
- Monoisotopic mass
- 301.02146
Names & identifiers
- Preferred name
- 1-benzyl-5-bromo-3-methyl-1H-pyrazolo[3,4-b]pyridine
- IUPAC
- 1-benzyl-5-bromo-3-methylpyrazolo[5,4-b]pyridine
Names & synonyms
1131121-64-61-benzyl-5-bromo-3-methyl-1H-pyrazolo[3,4-b]pyridineSCHEMBL13905759DTXSID901187133DA-297395-Bromo-3-methyl-1-(phenylmethyl)-1H-pyrazolo[3,4-b]pyridine
Database identifiers
- CAS
1131121-64-6- PubChem CID
- 71025014
- DTXSID
DTXSID901187133
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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