Acetic acid, ((1-(alpha,alpha,alpha-trifluoro-m-tolyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)-, ethyl ester

HCID 36858

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Basic information

CAS: 34580-65-9
Standard SMILES: CCOC(=O)COc1nn(-c2cccc(C(F)(F)F)c2)c2ncccc12
InChIKey: JGHXHFHJVYSBOU-UHFFFAOYSA-N
Molecular formula: C17H14F3N3O3
Average molar mass: 365.31 g/mol
Monoisotopic mass: 365.0987258

Names & identifiers

Preferred name: Acetic acid, ((1-(alpha,alpha,alpha-trifluoro-m-tolyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)-, ethyl ester
IUPAC: ethyl 2-[1-[3-(trifluoromethyl)phenyl]pyrazolo[5,4-b]pyridin-3-yl]oxyacetate
English name: [[1-[3-(Trifluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]oxy]acetic acid ethyl ester
Molecular weight: 0

Names & synonyms

34580-65-9ITF 1030BRN 0719590Acetic acid, ((1-(alpha,alpha,alpha-trifluoro-m-tolyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)-, ethyl esterDTXSID40188139((1-(3-(Trifluoromethyl)phenyl)-1H-pyrazolo(3,4-b)pyridin-3-yl)oxy)acetic acid ethyl ester[[1-[3-(Trifluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl]oxy]acetic acid ethyl esterRefChem:315870DTXCID20110630DB-278518ethyl ({1-[3-(trifluoromethyl)phenyl]-1H-pyrazolo[3,4-b]pyridin-3-yl}oxy)acetate[[1-[3-(TRIFLUOROMETHYL)PHENYL ]-1H-PYRAZOLO[3,4-B]PYRIDIN-3-YL ]OXY]ACETIC ACID ETHYL ESTER

Database identifiers

CAS: 34580-65-9
PubChem CID: 36858
DTXSID: DTXSID40188139
Nikkaji: J86.299A

Properties

Computed structural properties

XLogP: 4
Topological polar surface area: 66.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 6
Heavy atoms: 26
Formal charge: 0
Complexity: 492

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