Basic information
- CAS
34580-77-3- Standard SMILES
O=c1[nH]n(-c2cccc(C(F)(F)F)c2)c2ncccc12- InChIKey
VJHQMBJCNXSDHH-UHFFFAOYSA-N- Molecular formula
- C13H8F3N3O
- Average molar mass
- 279.22 g/mol
- Monoisotopic mass
- 279.06194637
Names & identifiers
- Preferred name
- Itf 1008
- IUPAC
- 1-[3-(trifluoromethyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-one
- English name
- 1,2-Dihydro-1-(α,α,α-trifluoro-m-tolyl)-3H-pyrazolo[3,4-b]pyridin-3-one
- Molecular formula
- C13H8F3N3O
- Molecular weight
- 279.2173296
Names & synonyms
34580-77-3ITF 1008BRN 05532591,2-Dihydro-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-3H-pyrazolo(3,4-b)pyridin-3-oneDTXSID901881443H-Pyrazolo(3,4-b)pyridin-3-one, 1,2-dihydro-1-(3-(trifluoromethyl)phenyl)-3H-Pyrazolo(3,4-b)pyridin-3-one, 1,2-dihydro-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-1,2-Dihydro-1-(alpha,alpha,alpha-trifluoro-m-tolyl)-3H-pyrazolo[3,4-b]pyridin-3-oneRefChem:350311DTXCID201106353H-Pyrazolo(3,4-b)pyridin-3-one, 1,2-dihydro-1-(3-(trifluoromethyl)phenyl)-(9CI)1-(3-(Trifluoromethyl)phenyl)-1,2-dihydro-3H-pyrazolo[3,4-b]pyridin-3-one
Show more names
ITF-10081,2-Dihydro-1-(α,α,α-trifluoro-m-tolyl)-3H-pyrazolo[3,4-b]pyridin-3-one
1-[3-(trifluoromethyl)phenyl]-1,2-dihydro-3h-pyrazolo[3,4-b]pyridin-3-one1-[3-(trifluoromethyl)phenyl]-1H,2H,3H-pyrazolo[3,4-b]pyridin-3-one
Database identifiers
- CAS
34580-77-3- PubChem CID
- 214920
- DTXSID
DTXSID90188144- Nikkaji
- J78.786H
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 45.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 388
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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