4-chloro-1-phenyl-3-(trifluoromethyl)pyrazolo[3,4-b]pyridine

C13H7ClF3N3 — CID 135253333

IUPAC4-chloro-1-phenyl-3-(trifluoromethyl)pyrazolo[3,4-b]pyridine
SMILESFC(F)(F)c1nn(-c2ccccc2)c2nccc(Cl)c12
InChIInChI=1S/C13H7ClF3N3/c14-9-6-7-18-12-10(9)11(13(15,16)17)19-20(12)8-4-2-1-3-5-8/h1-7H
InChIKeyOHIIOHWGQUVTOE-UHFFFAOYSA-N
MW297.67 g/mol
LogP4.09
Rot. Bonds1

About 4-chloro-1-phenyl-3-(trifluoromethyl)pyrazolo[3,4-b]pyridine

4-chloro-1-phenyl-3-(trifluoromethyl)pyrazolo[3,4-b]pyridine (PubChem CID 135253333) has the molecular formula C13H7ClF3N3 and a molecular weight of 297.67 g/mol. Its IUPAC name is 4-chloro-1-phenyl-3-(trifluoromethyl)pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-chloro-1-phenyl-3-(trifluoromethyl)pyrazolo[3,4-b]pyridine
PubChem CID135253333
Molecular FormulaC13H7ClF3N3
Molecular Weight297.67 g/mol
Exact Mass297.03
IUPAC Name4-chloro-1-phenyl-3-(trifluoromethyl)pyrazolo[3,4-b]pyridine
SMILESFC(F)(F)c1nn(-c2ccccc2)c2nccc(Cl)c12
InChIInChI=1S/C13H7ClF3N3/c14-9-6-7-18-12-10(9)11(13(15,16)17)19-20(12)8-4-2-1-3-5-8/h1-7H
InChIKeyOHIIOHWGQUVTOE-UHFFFAOYSA-N
XLogP4.09
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.67
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-phenyl-3-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
The IUPAC name of 4-chloro-1-phenyl-3-(trifluoromethyl)pyrazolo[3,4-b]pyridine (CID 135253333) is 4-chloro-1-phenyl-3-(trifluoromethyl)pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-chloro-1-phenyl-3-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-chloro-1-phenyl-3-(trifluoromethyl)pyrazolo[3,4-b]pyridine is FC(F)(F)c1nn(-c2ccccc2)c2nccc(Cl)c12.
What is the InChIKey of 4-chloro-1-phenyl-3-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
The InChIKey is OHIIOHWGQUVTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3N3/c14-9-6-7-18-12-10(9)11(13(15,16)17)19-20(12)8-4-2-1-3-5-8/h1-7H.
What are the key properties of 4-chloro-1-phenyl-3-(trifluoromethyl)pyrazolo[3,4-b]pyridine?
4-chloro-1-phenyl-3-(trifluoromethyl)pyrazolo[3,4-b]pyridine has a molecular weight of 297.67 g/mol, XLogP of 4.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-phenyl-3-(trifluoromethyl)pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 135253333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).