2-[1,3-dimethyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetic acid

C11H10F3N3O3 — CID 19622969

IUPAC2-[1,3-dimethyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetic acid
SMILESCc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2CC(=O)O
InChIInChI=1S/C11H10F3N3O3/c1-5-9-6(11(12,13)14)3-7(18)17(4-8(19)20)10(9)16(2)15-5/h3H,4H2,1-2H3,(H,19,20)
InChIKeyNKHDAHUNEWLNRG-UHFFFAOYSA-N
MW289.21 g/mol
LogP1.15
Rot. Bonds2

About 2-[1,3-dimethyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetic acid

2-[1,3-dimethyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetic acid (PubChem CID 19622969) has the molecular formula C11H10F3N3O3 and a molecular weight of 289.21 g/mol. Its IUPAC name is 2-[1,3-dimethyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetic acid.

Molecular Properties

Compound Name2-[1,3-dimethyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetic acid
PubChem CID19622969
Molecular FormulaC11H10F3N3O3
Molecular Weight289.21 g/mol
Exact Mass289.07
IUPAC Name2-[1,3-dimethyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetic acid
SMILESCc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2CC(=O)O
InChIInChI=1S/C11H10F3N3O3/c1-5-9-6(11(12,13)14)3-7(18)17(4-8(19)20)10(9)16(2)15-5/h3H,4H2,1-2H3,(H,19,20)
InChIKeyNKHDAHUNEWLNRG-UHFFFAOYSA-N
XLogP1.15
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1,3-dimethyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetic acid?
The IUPAC name of 2-[1,3-dimethyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetic acid (CID 19622969) is 2-[1,3-dimethyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetic acid.
What is the SMILES notation for 2-[1,3-dimethyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetic acid?
The canonical SMILES for 2-[1,3-dimethyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetic acid is Cc1nn(C)c2c1c(C(F)(F)F)cc(=O)n2CC(=O)O.
What is the InChIKey of 2-[1,3-dimethyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetic acid?
The InChIKey is NKHDAHUNEWLNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O3/c1-5-9-6(11(12,13)14)3-7(18)17(4-8(19)20)10(9)16(2)15-5/h3H,4H2,1-2H3,(H,19,20).
What are the key properties of 2-[1,3-dimethyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetic acid?
2-[1,3-dimethyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetic acid has a molecular weight of 289.21 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,3-dimethyl-6-oxo-4-(trifluoromethyl)pyrazolo[5,4-b]pyridin-7-yl]acetic acid is sourced from PubChem (CID 19622969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).