2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde

C15H8F4N2O — CID 22174842

IUPAC2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde
SMILESO=Cc1c(-c2ccc(F)cc2)nn2cc(C(F)(F)F)ccc12
InChIInChI=1S/C15H8F4N2O/c16-11-4-1-9(2-5-11)14-12(8-22)13-6-3-10(15(17,18)19)7-21(13)20-14/h1-8H
InChIKeyYNKBBLQLIKUFPE-UHFFFAOYSA-N
MW308.23 g/mol
LogP3.97
Rot. Bonds2

About 2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde

2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde (PubChem CID 22174842) has the molecular formula C15H8F4N2O and a molecular weight of 308.23 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde
PubChem CID22174842
Molecular FormulaC15H8F4N2O
Molecular Weight308.23 g/mol
Exact Mass308.06
IUPAC Name2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde
SMILESO=Cc1c(-c2ccc(F)cc2)nn2cc(C(F)(F)F)ccc12
InChIInChI=1S/C15H8F4N2O/c16-11-4-1-9(2-5-11)14-12(8-22)13-6-3-10(15(17,18)19)7-21(13)20-14/h1-8H
InChIKeyYNKBBLQLIKUFPE-UHFFFAOYSA-N
XLogP3.97
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.23
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde?
The IUPAC name of 2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde (CID 22174842) is 2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde?
The canonical SMILES for 2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde is O=Cc1c(-c2ccc(F)cc2)nn2cc(C(F)(F)F)ccc12.
What is the InChIKey of 2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde?
The InChIKey is YNKBBLQLIKUFPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F4N2O/c16-11-4-1-9(2-5-11)14-12(8-22)13-6-3-10(15(17,18)19)7-21(13)20-14/h1-8H.
What are the key properties of 2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde?
2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde has a molecular weight of 308.23 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 22174842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).