2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C9H12F2N2O — CID 171660275

IUPAC2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESFC(F)COc1cc2n(n1)CCCC2
InChIInChI=1S/C9H12F2N2O/c10-8(11)6-14-9-5-7-3-1-2-4-13(7)12-9/h5,8H,1-4,6H2
InChIKeySTFMLUIGGQNKJJ-UHFFFAOYSA-N
MW202.20 g/mol
LogP1.86
Rot. Bonds3

About 2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 171660275) has the molecular formula C9H12F2N2O and a molecular weight of 202.20 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID171660275
Molecular FormulaC9H12F2N2O
Molecular Weight202.20 g/mol
Exact Mass202.09
IUPAC Name2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESFC(F)COc1cc2n(n1)CCCC2
InChIInChI=1S/C9H12F2N2O/c10-8(11)6-14-9-5-7-3-1-2-4-13(7)12-9/h5,8H,1-4,6H2
InChIKeySTFMLUIGGQNKJJ-UHFFFAOYSA-N
XLogP1.86
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.20
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 171660275) is 2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is FC(F)COc1cc2n(n1)CCCC2.
What is the InChIKey of 2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is STFMLUIGGQNKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O/c10-8(11)6-14-9-5-7-3-1-2-4-13(7)12-9/h5,8H,1-4,6H2.
What are the key properties of 2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 202.20 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 171660275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).