4-chloro-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid

C9H4ClF3N2O2 — CID 118499339

IUPAC4-chloro-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(Cl)cc(C(F)(F)F)cn2n1
InChIInChI=1S/C9H4ClF3N2O2/c10-5-1-4(9(11,12)13)3-15-7(5)2-6(14-15)8(16)17/h1-3H,(H,16,17)
InChIKeySILKLALPZPMOFJ-UHFFFAOYSA-N
MW264.59 g/mol
LogP2.70
Rot. Bonds1

About 4-chloro-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid

4-chloro-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid (PubChem CID 118499339) has the molecular formula C9H4ClF3N2O2 and a molecular weight of 264.59 g/mol. Its IUPAC name is 4-chloro-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-chloro-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid
PubChem CID118499339
Molecular FormulaC9H4ClF3N2O2
Molecular Weight264.59 g/mol
Exact Mass263.99
IUPAC Name4-chloro-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc2c(Cl)cc(C(F)(F)F)cn2n1
InChIInChI=1S/C9H4ClF3N2O2/c10-5-1-4(9(11,12)13)3-15-7(5)2-6(14-15)8(16)17/h1-3H,(H,16,17)
InChIKeySILKLALPZPMOFJ-UHFFFAOYSA-N
XLogP2.70
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.59
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid?
The IUPAC name of 4-chloro-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid (CID 118499339) is 4-chloro-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-chloro-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid?
The canonical SMILES for 4-chloro-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid is O=C(O)c1cc2c(Cl)cc(C(F)(F)F)cn2n1.
What is the InChIKey of 4-chloro-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid?
The InChIKey is SILKLALPZPMOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3N2O2/c10-5-1-4(9(11,12)13)3-15-7(5)2-6(14-15)8(16)17/h1-3H,(H,16,17).
What are the key properties of 4-chloro-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid?
4-chloro-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid has a molecular weight of 264.59 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylic acid is sourced from PubChem (CID 118499339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).