4-[1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]phenol

C14H10F3N3O — CID 135636232

IUPAC4-[1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]phenol
SMILESCn1ncc2c(C(F)(F)F)cc(-c3ccc(O)cc3)nc21
InChIInChI=1S/C14H10F3N3O/c1-20-13-10(7-18-20)11(14(15,16)17)6-12(19-13)8-2-4-9(21)5-3-8/h2-7,21H,1H3
InChIKeyFINUSSVUIFDOCI-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.36
Rot. Bonds1

About 4-[1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]phenol

4-[1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]phenol (PubChem CID 135636232) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 4-[1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]phenol.

Molecular Properties

Compound Name4-[1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]phenol
PubChem CID135636232
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name4-[1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]phenol
SMILESCn1ncc2c(C(F)(F)F)cc(-c3ccc(O)cc3)nc21
InChIInChI=1S/C14H10F3N3O/c1-20-13-10(7-18-20)11(14(15,16)17)6-12(19-13)8-2-4-9(21)5-3-8/h2-7,21H,1H3
InChIKeyFINUSSVUIFDOCI-UHFFFAOYSA-N
XLogP3.36
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]phenol?
The IUPAC name of 4-[1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]phenol (CID 135636232) is 4-[1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]phenol.
What is the SMILES notation for 4-[1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]phenol?
The canonical SMILES for 4-[1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]phenol is Cn1ncc2c(C(F)(F)F)cc(-c3ccc(O)cc3)nc21.
What is the InChIKey of 4-[1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]phenol?
The InChIKey is FINUSSVUIFDOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c1-20-13-10(7-18-20)11(14(15,16)17)6-12(19-13)8-2-4-9(21)5-3-8/h2-7,21H,1H3.
What are the key properties of 4-[1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]phenol?
4-[1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]phenol has a molecular weight of 293.25 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-methyl-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-6-yl]phenol is sourced from PubChem (CID 135636232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).