[4-(1,3-dioxolan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methanol

C12H11F3N2O3 — CID 58013991

IUPAC[4-(1,3-dioxolan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methanol
SMILESOCc1ccc(C2OCCO2)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C12H11F3N2O3/c13-12(14,15)10-5-9-8(11-19-3-4-20-11)2-1-7(6-18)17(9)16-10/h1-2,5,11,18H,3-4,6H2
InChIKeyVACDSPAMHSCIDB-UHFFFAOYSA-N
MW288.23 g/mol
LogP1.89
Rot. Bonds2

About [4-(1,3-dioxolan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methanol

[4-(1,3-dioxolan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methanol (PubChem CID 58013991) has the molecular formula C12H11F3N2O3 and a molecular weight of 288.23 g/mol. Its IUPAC name is [4-(1,3-dioxolan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methanol.

Molecular Properties

Compound Name[4-(1,3-dioxolan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methanol
PubChem CID58013991
Molecular FormulaC12H11F3N2O3
Molecular Weight288.23 g/mol
Exact Mass288.07
IUPAC Name[4-(1,3-dioxolan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methanol
SMILESOCc1ccc(C2OCCO2)c2cc(C(F)(F)F)nn12
InChIInChI=1S/C12H11F3N2O3/c13-12(14,15)10-5-9-8(11-19-3-4-20-11)2-1-7(6-18)17(9)16-10/h1-2,5,11,18H,3-4,6H2
InChIKeyVACDSPAMHSCIDB-UHFFFAOYSA-N
XLogP1.89
TPSA55.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(1,3-dioxolan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methanol?
The IUPAC name of [4-(1,3-dioxolan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methanol (CID 58013991) is [4-(1,3-dioxolan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methanol.
What is the SMILES notation for [4-(1,3-dioxolan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methanol?
The canonical SMILES for [4-(1,3-dioxolan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methanol is OCc1ccc(C2OCCO2)c2cc(C(F)(F)F)nn12.
What is the InChIKey of [4-(1,3-dioxolan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methanol?
The InChIKey is VACDSPAMHSCIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O3/c13-12(14,15)10-5-9-8(11-19-3-4-20-11)2-1-7(6-18)17(9)16-10/h1-2,5,11,18H,3-4,6H2.
What are the key properties of [4-(1,3-dioxolan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methanol?
[4-(1,3-dioxolan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methanol has a molecular weight of 288.23 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3-dioxolan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyridin-7-yl]methanol is sourced from PubChem (CID 58013991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).