ethane;7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid

C11H11F3N2O2 — CID 169165980

IUPACethane;7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid
SMILESCC.O=C(O)c1cc2cccc(C(F)(F)F)n2n1
InChIInChI=1S/C9H5F3N2O2.C2H6/c10-9(11,12)7-3-1-2-5-4-6(8(15)16)13-14(5)7;1-2/h1-4H,(H,15,16);1-2H3
InChIKeyAARZESNBXGSADJ-UHFFFAOYSA-N
MW260.22 g/mol
LogP3.08
Rot. Bonds1

About ethane;7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid

ethane;7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid (PubChem CID 169165980) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.22 g/mol. Its IUPAC name is ethane;7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Nameethane;7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid
PubChem CID169165980
Molecular FormulaC11H11F3N2O2
Molecular Weight260.22 g/mol
Exact Mass260.08
IUPAC Nameethane;7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid
SMILESCC.O=C(O)c1cc2cccc(C(F)(F)F)n2n1
InChIInChI=1S/C9H5F3N2O2.C2H6/c10-9(11,12)7-3-1-2-5-4-6(8(15)16)13-14(5)7;1-2/h1-4H,(H,15,16);1-2H3
InChIKeyAARZESNBXGSADJ-UHFFFAOYSA-N
XLogP3.08
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid?
The IUPAC name of ethane;7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid (CID 169165980) is ethane;7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid.
What is the SMILES notation for ethane;7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid?
The canonical SMILES for ethane;7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid is CC.O=C(O)c1cc2cccc(C(F)(F)F)n2n1.
What is the InChIKey of ethane;7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid?
The InChIKey is AARZESNBXGSADJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2O2.C2H6/c10-9(11,12)7-3-1-2-5-4-6(8(15)16)13-14(5)7;1-2/h1-4H,(H,15,16);1-2H3.
What are the key properties of ethane;7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid?
ethane;7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid has a molecular weight of 260.22 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 169165980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).