3-methyl-1-(trifluoromethyl)pyrazolo[4,5-b]pyridin-6-ol

C8H6F3N3O — CID 171537108

IUPAC3-methyl-1-(trifluoromethyl)pyrazolo[4,5-b]pyridin-6-ol
SMILESCc1nn(C(F)(F)F)c2cc(O)cnc12
InChIInChI=1S/C8H6F3N3O/c1-4-7-6(2-5(15)3-12-7)14(13-4)8(9,10)11/h2-3,15H,1H3
InChIKeyPXHCEJDZTPXXKA-UHFFFAOYSA-N
MW217.15 g/mol
LogP1.92
Rot. Bonds

About 3-methyl-1-(trifluoromethyl)pyrazolo[4,5-b]pyridin-6-ol

3-methyl-1-(trifluoromethyl)pyrazolo[4,5-b]pyridin-6-ol (PubChem CID 171537108) has the molecular formula C8H6F3N3O and a molecular weight of 217.15 g/mol. Its IUPAC name is 3-methyl-1-(trifluoromethyl)pyrazolo[4,5-b]pyridin-6-ol.

Molecular Properties

Compound Name3-methyl-1-(trifluoromethyl)pyrazolo[4,5-b]pyridin-6-ol
PubChem CID171537108
Molecular FormulaC8H6F3N3O
Molecular Weight217.15 g/mol
Exact Mass217.05
IUPAC Name3-methyl-1-(trifluoromethyl)pyrazolo[4,5-b]pyridin-6-ol
SMILESCc1nn(C(F)(F)F)c2cc(O)cnc12
InChIInChI=1S/C8H6F3N3O/c1-4-7-6(2-5(15)3-12-7)14(13-4)8(9,10)11/h2-3,15H,1H3
InChIKeyPXHCEJDZTPXXKA-UHFFFAOYSA-N
XLogP1.92
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(trifluoromethyl)pyrazolo[4,5-b]pyridin-6-ol?
The IUPAC name of 3-methyl-1-(trifluoromethyl)pyrazolo[4,5-b]pyridin-6-ol (CID 171537108) is 3-methyl-1-(trifluoromethyl)pyrazolo[4,5-b]pyridin-6-ol.
What is the SMILES notation for 3-methyl-1-(trifluoromethyl)pyrazolo[4,5-b]pyridin-6-ol?
The canonical SMILES for 3-methyl-1-(trifluoromethyl)pyrazolo[4,5-b]pyridin-6-ol is Cc1nn(C(F)(F)F)c2cc(O)cnc12.
What is the InChIKey of 3-methyl-1-(trifluoromethyl)pyrazolo[4,5-b]pyridin-6-ol?
The InChIKey is PXHCEJDZTPXXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O/c1-4-7-6(2-5(15)3-12-7)14(13-4)8(9,10)11/h2-3,15H,1H3.
What are the key properties of 3-methyl-1-(trifluoromethyl)pyrazolo[4,5-b]pyridin-6-ol?
3-methyl-1-(trifluoromethyl)pyrazolo[4,5-b]pyridin-6-ol has a molecular weight of 217.15 g/mol, XLogP of 1.92, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(trifluoromethyl)pyrazolo[4,5-b]pyridin-6-ol is sourced from PubChem (CID 171537108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).