6-methoxy-7-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde

C12H11F3N2O2 — CID 166773524

IUPAC6-methoxy-7-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde
SMILESCOc1ccc2c(C=O)cnn2c1CCC(F)(F)F
InChIInChI=1S/C12H11F3N2O2/c1-19-11-3-2-9-8(7-18)6-16-17(9)10(11)4-5-12(13,14)15/h2-3,6-7H,4-5H2,1H3
InChIKeyFOPZCNALWVDXMV-UHFFFAOYSA-N
MW272.23 g/mol
LogP2.65
Rot. Bonds4

About 6-methoxy-7-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde

6-methoxy-7-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde (PubChem CID 166773524) has the molecular formula C12H11F3N2O2 and a molecular weight of 272.23 g/mol. Its IUPAC name is 6-methoxy-7-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-7-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde
PubChem CID166773524
Molecular FormulaC12H11F3N2O2
Molecular Weight272.23 g/mol
Exact Mass272.08
IUPAC Name6-methoxy-7-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde
SMILESCOc1ccc2c(C=O)cnn2c1CCC(F)(F)F
InChIInChI=1S/C12H11F3N2O2/c1-19-11-3-2-9-8(7-18)6-16-17(9)10(11)4-5-12(13,14)15/h2-3,6-7H,4-5H2,1H3
InChIKeyFOPZCNALWVDXMV-UHFFFAOYSA-N
XLogP2.65
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.23
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-methoxy-7-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-7-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde?
The IUPAC name of 6-methoxy-7-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde (CID 166773524) is 6-methoxy-7-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-methoxy-7-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde?
The canonical SMILES for 6-methoxy-7-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde is COc1ccc2c(C=O)cnn2c1CCC(F)(F)F.
What is the InChIKey of 6-methoxy-7-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde?
The InChIKey is FOPZCNALWVDXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O2/c1-19-11-3-2-9-8(7-18)6-16-17(9)10(11)4-5-12(13,14)15/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 6-methoxy-7-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde?
6-methoxy-7-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde has a molecular weight of 272.23 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-7-(3,3,3-trifluoropropyl)pyrazolo[1,5-a]pyridine-3-carbaldehyde is sourced from PubChem (CID 166773524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).