6-(3,3,3-trifluoro-2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid

C11H9F3N2O4 — CID 118661460

IUPAC6-(3,3,3-trifluoro-2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnn2cc(OCC(O)C(F)(F)F)ccc12
InChIInChI=1S/C11H9F3N2O4/c12-11(13,14)9(17)5-20-6-1-2-8-7(10(18)19)3-15-16(8)4-6/h1-4,9,17H,5H2,(H,18,19)
InChIKeyGKPNPPWZYNAVBR-UHFFFAOYSA-N
MW290.20 g/mol
LogP1.33
Rot. Bonds4

About 6-(3,3,3-trifluoro-2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid

6-(3,3,3-trifluoro-2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 118661460) has the molecular formula C11H9F3N2O4 and a molecular weight of 290.20 g/mol. Its IUPAC name is 6-(3,3,3-trifluoro-2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3,3,3-trifluoro-2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID118661460
Molecular FormulaC11H9F3N2O4
Molecular Weight290.20 g/mol
Exact Mass290.05
IUPAC Name6-(3,3,3-trifluoro-2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnn2cc(OCC(O)C(F)(F)F)ccc12
InChIInChI=1S/C11H9F3N2O4/c12-11(13,14)9(17)5-20-6-1-2-8-7(10(18)19)3-15-16(8)4-6/h1-4,9,17H,5H2,(H,18,19)
InChIKeyGKPNPPWZYNAVBR-UHFFFAOYSA-N
XLogP1.33
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 130229153
6-(1,3-difluoropropan-2-yloxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 138110564
6-methoxypyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 83680674
6-(2-pyrrolidin-1-ylethoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 90299273
1-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]ethanone
CID 118674834
1-[6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridin-3-yl]ethanone
CID 118674259
methyl 6-(3,3,3-trifluoropropoxy)pyrazolo[1,5-a]pyridine-3-carboxylate
CID 118661482
1-[6-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propoxy]pyrazolo[1,5-a]pyridin-3-yl]propan-1-one
CID 134286734
2-(3-ethoxycarbonylpyrazolo[1,5-a]pyridin-6-yl)oxyacetic acid
CID 118661383
6-(2-hydroxypropan-2-yl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
CID 169163238
5-methoxy-2-(3,3,3-trifluoro-2-hydroxypropoxy)benzoic acid
CID 63899578
1-(6-methoxypyrazolo[1,5-a]pyridin-3-yl)ethanone
CID 118565994

Frequently Asked Questions

What is the IUPAC name of 6-(3,3,3-trifluoro-2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 6-(3,3,3-trifluoro-2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 118661460) is 6-(3,3,3-trifluoro-2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3,3,3-trifluoro-2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 6-(3,3,3-trifluoro-2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid is O=C(O)c1cnn2cc(OCC(O)C(F)(F)F)ccc12.
What is the InChIKey of 6-(3,3,3-trifluoro-2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is GKPNPPWZYNAVBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F3N2O4/c12-11(13,14)9(17)5-20-6-1-2-8-7(10(18)19)3-15-16(8)4-6/h1-4,9,17H,5H2,(H,18,19).
What are the key properties of 6-(3,3,3-trifluoro-2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid?
6-(3,3,3-trifluoro-2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 290.20 g/mol, XLogP of 1.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3,3-trifluoro-2-hydroxypropoxy)pyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 118661460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).