1,1,1,3,3,3-hexafluoro-2-(pyrazolo[1,5-a]pyridin-6-yloxymethyl)propan-2-ol

C11H8F6N2O2 — CID 150787013

IUPAC1,1,1,3,3,3-hexafluoro-2-(pyrazolo[1,5-a]pyridin-6-yloxymethyl)propan-2-ol
SMILESOC(COc1ccc2ccnn2c1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H8F6N2O2/c12-10(13,14)9(20,11(15,16)17)6-21-8-2-1-7-3-4-18-19(7)5-8/h1-5,20H,6H2
InChIKeyKDBJWDWAVHJCOR-UHFFFAOYSA-N
MW314.19 g/mol
LogP2.57
Rot. Bonds3

About 1,1,1,3,3,3-hexafluoro-2-(pyrazolo[1,5-a]pyridin-6-yloxymethyl)propan-2-ol

1,1,1,3,3,3-hexafluoro-2-(pyrazolo[1,5-a]pyridin-6-yloxymethyl)propan-2-ol (PubChem CID 150787013) has the molecular formula C11H8F6N2O2 and a molecular weight of 314.19 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(pyrazolo[1,5-a]pyridin-6-yloxymethyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(pyrazolo[1,5-a]pyridin-6-yloxymethyl)propan-2-ol
PubChem CID150787013
Molecular FormulaC11H8F6N2O2
Molecular Weight314.19 g/mol
Exact Mass314.05
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(pyrazolo[1,5-a]pyridin-6-yloxymethyl)propan-2-ol
SMILESOC(COc1ccc2ccnn2c1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H8F6N2O2/c12-10(13,14)9(20,11(15,16)17)6-21-8-2-1-7-3-4-18-19(7)5-8/h1-5,20H,6H2
InChIKeyKDBJWDWAVHJCOR-UHFFFAOYSA-N
XLogP2.57
TPSA46.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(pyrazolo[1,5-a]pyridin-6-yloxymethyl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(pyrazolo[1,5-a]pyridin-6-yloxymethyl)propan-2-ol (CID 150787013) is 1,1,1,3,3,3-hexafluoro-2-(pyrazolo[1,5-a]pyridin-6-yloxymethyl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(pyrazolo[1,5-a]pyridin-6-yloxymethyl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(pyrazolo[1,5-a]pyridin-6-yloxymethyl)propan-2-ol is OC(COc1ccc2ccnn2c1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(pyrazolo[1,5-a]pyridin-6-yloxymethyl)propan-2-ol?
The InChIKey is KDBJWDWAVHJCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F6N2O2/c12-10(13,14)9(20,11(15,16)17)6-21-8-2-1-7-3-4-18-19(7)5-8/h1-5,20H,6H2.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(pyrazolo[1,5-a]pyridin-6-yloxymethyl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(pyrazolo[1,5-a]pyridin-6-yloxymethyl)propan-2-ol has a molecular weight of 314.19 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(pyrazolo[1,5-a]pyridin-6-yloxymethyl)propan-2-ol is sourced from PubChem (CID 150787013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).