2-methyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridine

C12H13F3N2O2 — CID 162150186

IUPAC2-methyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridine
SMILESCc1cc2ccc(OCCOCC(F)(F)F)cn2n1
InChIInChI=1S/C12H13F3N2O2/c1-9-6-10-2-3-11(7-17(10)16-9)19-5-4-18-8-12(13,14)15/h2-3,6-7H,4-5,8H2,1H3
InChIKeyZLCDYJHYIFYRQJ-UHFFFAOYSA-N
MW274.24 g/mol
LogP2.60
Rot. Bonds5

About 2-methyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridine

2-methyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridine (PubChem CID 162150186) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 2-methyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-methyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridine
PubChem CID162150186
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name2-methyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridine
SMILESCc1cc2ccc(OCCOCC(F)(F)F)cn2n1
InChIInChI=1S/C12H13F3N2O2/c1-9-6-10-2-3-11(7-17(10)16-9)19-5-4-18-8-12(13,14)15/h2-3,6-7H,4-5,8H2,1H3
InChIKeyZLCDYJHYIFYRQJ-UHFFFAOYSA-N
XLogP2.60
TPSA35.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridine?
The IUPAC name of 2-methyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridine (CID 162150186) is 2-methyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-methyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-methyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridine is Cc1cc2ccc(OCCOCC(F)(F)F)cn2n1.
What is the InChIKey of 2-methyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridine?
The InChIKey is ZLCDYJHYIFYRQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-9-6-10-2-3-11(7-17(10)16-9)19-5-4-18-8-12(13,14)15/h2-3,6-7H,4-5,8H2,1H3.
What are the key properties of 2-methyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridine?
2-methyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridine has a molecular weight of 274.24 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[2-(2,2,2-trifluoroethoxy)ethoxy]pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 162150186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).