Acetic acid, ((1-(3-(trifluoromethyl)phenyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)-
Basic information
- CAS
34580-64-8- Standard SMILES
O=C(O)COc1nn(-c2cccc(C(F)(F)F)c2)c2ncccc12- InChIKey
OSBPZONQNBPENH-UHFFFAOYSA-N- Molecular formula
- C15H10F3N3O3
- Average molar mass
- 337.25 g/mol
- Monoisotopic mass
- 337.06742568
Names & identifiers
- Preferred name
- Acetic acid, ((1-(3-(trifluoromethyl)phenyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)-
- IUPAC
- 2-[1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-3-yl]oxyacetic acid
- English name
- [[1-[3-(Trifluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]oxy]acetic acid
- Molecular weight
- 0
Names & synonyms
ITF 103234580-64-8BRN 0712662((1-(alpha,alpha,alpha-Trifluoro-m-tolyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)acetic acidDTXSID80188138Acetic acid, ((1-(3-(trifluoromethyl)phenyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)-Acetic acid, ((1-(alpha,alpha,alpha-trifluoro-m-tolyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)-RefChem:315862DTXCID10110629Acetic acid, ((1-(3-(trifluoromethyl)phenyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)-(9CI)[[1-[3-(Trifluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]oxy]acetic acid({1-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl}oxy)acetic acid
Show more names
ITF-1032
Acetic acid, ((1-(3-(trifluoromethyl)phenyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)- (9CI)DB-258398[[1-[3-(Trifluoromethyl)phenyl ]-1H-pyrazolo[3,4-b]pyridin-3-yl ]oxy]acetic acid
Database identifiers
- CAS
34580-64-8- PubChem CID
- 36857
- DTXSID
DTXSID80188138- Nikkaji
- J86.298C
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 77.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 463
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Related reactions
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Compound notes
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