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

C9H12F2N2O2 — CID 171659972

IUPAC2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-ol
SMILESOC1CCc2cc(OCC(F)F)nn2C1
InChIInChI=1S/C9H12F2N2O2/c10-8(11)5-15-9-3-6-1-2-7(14)4-13(6)12-9/h3,7-8,14H,1-2,4-5H2
InChIKeyLHPRZYSHCQQXGB-UHFFFAOYSA-N
MW218.20 g/mol
LogP0.83
Rot. Bonds3

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

2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-ol (PubChem CID 171659972) has the molecular formula C9H12F2N2O2 and a molecular weight of 218.20 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-ol.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-ol
PubChem CID171659972
Molecular FormulaC9H12F2N2O2
Molecular Weight218.20 g/mol
Exact Mass218.09
IUPAC Name2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-ol
SMILESOC1CCc2cc(OCC(F)F)nn2C1
InChIInChI=1S/C9H12F2N2O2/c10-8(11)5-15-9-3-6-1-2-7(14)4-13(6)12-9/h3,7-8,14H,1-2,4-5H2
InChIKeyLHPRZYSHCQQXGB-UHFFFAOYSA-N
XLogP0.83
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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]pyridin-6-ol?
The IUPAC name of 2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-ol (CID 171659972) is 2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-ol.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-ol?
The canonical SMILES for 2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-ol is OC1CCc2cc(OCC(F)F)nn2C1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-ol?
The InChIKey is LHPRZYSHCQQXGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2O2/c10-8(11)5-15-9-3-6-1-2-7(14)4-13(6)12-9/h3,7-8,14H,1-2,4-5H2.
What are the key properties of 2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-ol?
2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-ol has a molecular weight of 218.20 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-6-ol is sourced from PubChem (CID 171659972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).