2-methyl-4-(trifluoromethyl)-7H-pyrazolo[3,4-b]pyridin-6-one

C8H6F3N3O — CID 135646630

IUPAC2-methyl-4-(trifluoromethyl)-7H-pyrazolo[3,4-b]pyridin-6-one
SMILESCn1cc2c(C(F)(F)F)cc(=O)[nH]c2n1
InChIInChI=1S/C8H6F3N3O/c1-14-3-4-5(8(9,10)11)2-6(15)12-7(4)13-14/h2-3H,1H3,(H,12,13,15)
InChIKeyATOOYEKKPSCLJN-UHFFFAOYSA-N
MW217.15 g/mol
LogP1.28
Rot. Bonds

About 2-methyl-4-(trifluoromethyl)-7H-pyrazolo[3,4-b]pyridin-6-one

2-methyl-4-(trifluoromethyl)-7H-pyrazolo[3,4-b]pyridin-6-one (PubChem CID 135646630) has the molecular formula C8H6F3N3O and a molecular weight of 217.15 g/mol. Its IUPAC name is 2-methyl-4-(trifluoromethyl)-7H-pyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name2-methyl-4-(trifluoromethyl)-7H-pyrazolo[3,4-b]pyridin-6-one
PubChem CID135646630
Molecular FormulaC8H6F3N3O
Molecular Weight217.15 g/mol
Exact Mass217.05
IUPAC Name2-methyl-4-(trifluoromethyl)-7H-pyrazolo[3,4-b]pyridin-6-one
SMILESCn1cc2c(C(F)(F)F)cc(=O)[nH]c2n1
InChIInChI=1S/C8H6F3N3O/c1-14-3-4-5(8(9,10)11)2-6(15)12-7(4)13-14/h2-3H,1H3,(H,12,13,15)
InChIKeyATOOYEKKPSCLJN-UHFFFAOYSA-N
XLogP1.28
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.15
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(trifluoromethyl)-7H-pyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 2-methyl-4-(trifluoromethyl)-7H-pyrazolo[3,4-b]pyridin-6-one (CID 135646630) is 2-methyl-4-(trifluoromethyl)-7H-pyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 2-methyl-4-(trifluoromethyl)-7H-pyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 2-methyl-4-(trifluoromethyl)-7H-pyrazolo[3,4-b]pyridin-6-one is Cn1cc2c(C(F)(F)F)cc(=O)[nH]c2n1.
What is the InChIKey of 2-methyl-4-(trifluoromethyl)-7H-pyrazolo[3,4-b]pyridin-6-one?
The InChIKey is ATOOYEKKPSCLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3N3O/c1-14-3-4-5(8(9,10)11)2-6(15)12-7(4)13-14/h2-3H,1H3,(H,12,13,15).
What are the key properties of 2-methyl-4-(trifluoromethyl)-7H-pyrazolo[3,4-b]pyridin-6-one?
2-methyl-4-(trifluoromethyl)-7H-pyrazolo[3,4-b]pyridin-6-one has a molecular weight of 217.15 g/mol, XLogP of 1.28, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(trifluoromethyl)-7H-pyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 135646630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).