2-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine

C11H10F3N3O — CID 58840937

IUPAC2-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine
SMILESCc1cc(OCC(F)(F)F)nn1-c1ccccn1
InChIInChI=1S/C11H10F3N3O/c1-8-6-10(18-7-11(12,13)14)16-17(8)9-4-2-3-5-15-9/h2-6H,7H2,1H3
InChIKeyLAUZSUCOMUHVHR-UHFFFAOYSA-N
MW257.21 g/mol
LogP2.52
Rot. Bonds3

About 2-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine

2-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine (PubChem CID 58840937) has the molecular formula C11H10F3N3O and a molecular weight of 257.21 g/mol. Its IUPAC name is 2-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine.

Molecular Properties

Compound Name2-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine
PubChem CID58840937
Molecular FormulaC11H10F3N3O
Molecular Weight257.21 g/mol
Exact Mass257.08
IUPAC Name2-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine
SMILESCc1cc(OCC(F)(F)F)nn1-c1ccccn1
InChIInChI=1S/C11H10F3N3O/c1-8-6-10(18-7-11(12,13)14)16-17(8)9-4-2-3-5-15-9/h2-6H,7H2,1H3
InChIKeyLAUZSUCOMUHVHR-UHFFFAOYSA-N
XLogP2.52
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine 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 2-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine?
The IUPAC name of 2-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine (CID 58840937) is 2-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine.
What is the SMILES notation for 2-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine?
The canonical SMILES for 2-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine is Cc1cc(OCC(F)(F)F)nn1-c1ccccn1.
What is the InChIKey of 2-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine?
The InChIKey is LAUZSUCOMUHVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O/c1-8-6-10(18-7-11(12,13)14)16-17(8)9-4-2-3-5-15-9/h2-6H,7H2,1H3.
What are the key properties of 2-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine?
2-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine has a molecular weight of 257.21 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]pyridine is sourced from PubChem (CID 58840937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).