6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid

C9H10F3N3O2 — CID 83919715

IUPAC6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CCN(CC(F)(F)F)C2
InChIInChI=1S/C9H10F3N3O2/c10-9(11,12)4-15-2-1-5-6(3-15)13-14-7(5)8(16)17/h1-4H2,(H,13,14)(H,16,17)
InChIKeyUNDIZJJLQDKNSH-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.03
Rot. Bonds2

About 6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid

6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid (PubChem CID 83919715) has the molecular formula C9H10F3N3O2 and a molecular weight of 249.19 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid
PubChem CID83919715
Molecular FormulaC9H10F3N3O2
Molecular Weight249.19 g/mol
Exact Mass249.07
IUPAC Name6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CCN(CC(F)(F)F)C2
InChIInChI=1S/C9H10F3N3O2/c10-9(11,12)4-15-2-1-5-6(3-15)13-14-7(5)8(16)17/h1-4H2,(H,13,14)(H,16,17)
InChIKeyUNDIZJJLQDKNSH-UHFFFAOYSA-N
XLogP1.03
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid?
The IUPAC name of 6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid (CID 83919715) is 6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid is O=C(O)c1n[nH]c2c1CCN(CC(F)(F)F)C2.
What is the InChIKey of 6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid?
The InChIKey is UNDIZJJLQDKNSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O2/c10-9(11,12)4-15-2-1-5-6(3-15)13-14-7(5)8(16)17/h1-4H2,(H,13,14)(H,16,17).
What are the key properties of 6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid?
6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid has a molecular weight of 249.19 g/mol, XLogP of 1.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-trifluoroethyl)-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 83919715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).