2,2-difluoro-5-propan-2-yl-[1,3]dioxolo[4,5-c]pyridin-5-ium

C9H10F2NO2+ — CID 58484128

IUPAC2,2-difluoro-5-propan-2-yl-[1,3]dioxolo[4,5-c]pyridin-5-ium
SMILESCC(C)[n+]1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C9H10F2NO2/c1-6(2)12-4-3-7-8(5-12)14-9(10,11)13-7/h3-6H,1-2H3/q+1
InChIKeyCYLJIKLFDRTNSU-UHFFFAOYSA-N
MW202.18 g/mol
LogP1.88
Rot. Bonds1

About 2,2-difluoro-5-propan-2-yl-[1,3]dioxolo[4,5-c]pyridin-5-ium

2,2-difluoro-5-propan-2-yl-[1,3]dioxolo[4,5-c]pyridin-5-ium (PubChem CID 58484128) has the molecular formula C9H10F2NO2+ and a molecular weight of 202.18 g/mol. Its IUPAC name is 2,2-difluoro-5-propan-2-yl-[1,3]dioxolo[4,5-c]pyridin-5-ium.

Molecular Properties

Compound Name2,2-difluoro-5-propan-2-yl-[1,3]dioxolo[4,5-c]pyridin-5-ium
PubChem CID58484128
Molecular FormulaC9H10F2NO2+
Molecular Weight202.18 g/mol
Exact Mass202.07
IUPAC Name2,2-difluoro-5-propan-2-yl-[1,3]dioxolo[4,5-c]pyridin-5-ium
SMILESCC(C)[n+]1ccc2c(c1)OC(F)(F)O2
InChIInChI=1S/C9H10F2NO2/c1-6(2)12-4-3-7-8(5-12)14-9(10,11)13-7/h3-6H,1-2H3/q+1
InChIKeyCYLJIKLFDRTNSU-UHFFFAOYSA-N
XLogP1.88
TPSA22.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-propan-2-yl-[1,3]dioxolo[4,5-c]pyridin-5-ium?
The IUPAC name of 2,2-difluoro-5-propan-2-yl-[1,3]dioxolo[4,5-c]pyridin-5-ium (CID 58484128) is 2,2-difluoro-5-propan-2-yl-[1,3]dioxolo[4,5-c]pyridin-5-ium.
What is the SMILES notation for 2,2-difluoro-5-propan-2-yl-[1,3]dioxolo[4,5-c]pyridin-5-ium?
The canonical SMILES for 2,2-difluoro-5-propan-2-yl-[1,3]dioxolo[4,5-c]pyridin-5-ium is CC(C)[n+]1ccc2c(c1)OC(F)(F)O2.
What is the InChIKey of 2,2-difluoro-5-propan-2-yl-[1,3]dioxolo[4,5-c]pyridin-5-ium?
The InChIKey is CYLJIKLFDRTNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2NO2/c1-6(2)12-4-3-7-8(5-12)14-9(10,11)13-7/h3-6H,1-2H3/q+1.
What are the key properties of 2,2-difluoro-5-propan-2-yl-[1,3]dioxolo[4,5-c]pyridin-5-ium?
2,2-difluoro-5-propan-2-yl-[1,3]dioxolo[4,5-c]pyridin-5-ium has a molecular weight of 202.18 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-propan-2-yl-[1,3]dioxolo[4,5-c]pyridin-5-ium is sourced from PubChem (CID 58484128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).