6-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

C9H6F3N3O3 — CID 169016600

IUPAC6-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2cc(OCC(F)(F)F)ncc12
InChIInChI=1S/C9H6F3N3O3/c10-9(11,12)3-18-6-1-5-4(2-13-6)7(8(16)17)15-14-5/h1-2H,3H2,(H,14,15)(H,16,17)
InChIKeyQANGLBKDRAENPA-UHFFFAOYSA-N
MW261.16 g/mol
LogP1.60
Rot. Bonds3

About 6-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

6-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 169016600) has the molecular formula C9H6F3N3O3 and a molecular weight of 261.16 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID169016600
Molecular FormulaC9H6F3N3O3
Molecular Weight261.16 g/mol
Exact Mass261.04
IUPAC Name6-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2cc(OCC(F)(F)F)ncc12
InChIInChI=1S/C9H6F3N3O3/c10-9(11,12)3-18-6-1-5-4(2-13-6)7(8(16)17)15-14-5/h1-2H,3H2,(H,14,15)(H,16,17)
InChIKeyQANGLBKDRAENPA-UHFFFAOYSA-N
XLogP1.60
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 6-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 169016600) is 6-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 6-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is O=C(O)c1n[nH]c2cc(OCC(F)(F)F)ncc12.
What is the InChIKey of 6-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is QANGLBKDRAENPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O3/c10-9(11,12)3-18-6-1-5-4(2-13-6)7(8(16)17)15-14-5/h1-2H,3H2,(H,14,15)(H,16,17).
What are the key properties of 6-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
6-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 261.16 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-trifluoroethoxy)-1H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 169016600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).