6-(3,3,3-trifluoropropoxy)-7-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid

C14H12F6N2O3 — CID 130229613

IUPAC6-(3,3,3-trifluoropropoxy)-7-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(CCC(F)(F)F)c(OCCC(F)(F)F)ccc12
InChIInChI=1S/C14H12F6N2O3/c15-13(16,17)4-3-10-11(25-6-5-14(18,19)20)2-1-9-8(12(23)24)7-21-22(9)10/h1-2,7H,3-6H2,(H,23,24)
InChIKeyRQIUUTJWLIAIKG-UHFFFAOYSA-N
MW370.25 g/mol
LogP3.86
Rot. Bonds6

About 6-(3,3,3-trifluoropropoxy)-7-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid

6-(3,3,3-trifluoropropoxy)-7-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid (PubChem CID 130229613) has the molecular formula C14H12F6N2O3 and a molecular weight of 370.25 g/mol. Its IUPAC name is 6-(3,3,3-trifluoropropoxy)-7-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3,3,3-trifluoropropoxy)-7-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
PubChem CID130229613
Molecular FormulaC14H12F6N2O3
Molecular Weight370.25 g/mol
Exact Mass370.08
IUPAC Name6-(3,3,3-trifluoropropoxy)-7-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(CCC(F)(F)F)c(OCCC(F)(F)F)ccc12
InChIInChI=1S/C14H12F6N2O3/c15-13(16,17)4-3-10-11(25-6-5-14(18,19)20)2-1-9-8(12(23)24)7-21-22(9)10/h1-2,7H,3-6H2,(H,23,24)
InChIKeyRQIUUTJWLIAIKG-UHFFFAOYSA-N
XLogP3.86
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.25
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3,3-trifluoropropoxy)-7-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The IUPAC name of 6-(3,3,3-trifluoropropoxy)-7-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid (CID 130229613) is 6-(3,3,3-trifluoropropoxy)-7-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(3,3,3-trifluoropropoxy)-7-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The canonical SMILES for 6-(3,3,3-trifluoropropoxy)-7-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid is O=C(O)c1cnn2c(CCC(F)(F)F)c(OCCC(F)(F)F)ccc12.
What is the InChIKey of 6-(3,3,3-trifluoropropoxy)-7-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid?
The InChIKey is RQIUUTJWLIAIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F6N2O3/c15-13(16,17)4-3-10-11(25-6-5-14(18,19)20)2-1-9-8(12(23)24)7-21-22(9)10/h1-2,7H,3-6H2,(H,23,24).
What are the key properties of 6-(3,3,3-trifluoropropoxy)-7-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid?
6-(3,3,3-trifluoropropoxy)-7-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid has a molecular weight of 370.25 g/mol, XLogP of 3.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3,3-trifluoropropoxy)-7-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 130229613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).