6-ethyl-2,2-difluoro-[1,3]dioxolo[4,5-b]pyridine

C8H7F2NO2 — CID 168908427

IUPAC6-ethyl-2,2-difluoro-[1,3]dioxolo[4,5-b]pyridine
SMILESCCc1cnc2c(c1)OC(F)(F)O2
InChIInChI=1S/C8H7F2NO2/c1-2-5-3-6-7(11-4-5)13-8(9,10)12-6/h3-4H,2H2,1H3
InChIKeyWRRQJIWQVITYLT-UHFFFAOYSA-N
MW187.15 g/mol
LogP1.97
Rot. Bonds1

About 6-ethyl-2,2-difluoro-[1,3]dioxolo[4,5-b]pyridine

6-ethyl-2,2-difluoro-[1,3]dioxolo[4,5-b]pyridine (PubChem CID 168908427) has the molecular formula C8H7F2NO2 and a molecular weight of 187.15 g/mol. Its IUPAC name is 6-ethyl-2,2-difluoro-[1,3]dioxolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-ethyl-2,2-difluoro-[1,3]dioxolo[4,5-b]pyridine
PubChem CID168908427
Molecular FormulaC8H7F2NO2
Molecular Weight187.15 g/mol
Exact Mass187.04
IUPAC Name6-ethyl-2,2-difluoro-[1,3]dioxolo[4,5-b]pyridine
SMILESCCc1cnc2c(c1)OC(F)(F)O2
InChIInChI=1S/C8H7F2NO2/c1-2-5-3-6-7(11-4-5)13-8(9,10)12-6/h3-4H,2H2,1H3
InChIKeyWRRQJIWQVITYLT-UHFFFAOYSA-N
XLogP1.97
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.15
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,2-difluoro-[1,3]dioxolo[4,5-b]pyridine?
The IUPAC name of 6-ethyl-2,2-difluoro-[1,3]dioxolo[4,5-b]pyridine (CID 168908427) is 6-ethyl-2,2-difluoro-[1,3]dioxolo[4,5-b]pyridine.
What is the SMILES notation for 6-ethyl-2,2-difluoro-[1,3]dioxolo[4,5-b]pyridine?
The canonical SMILES for 6-ethyl-2,2-difluoro-[1,3]dioxolo[4,5-b]pyridine is CCc1cnc2c(c1)OC(F)(F)O2.
What is the InChIKey of 6-ethyl-2,2-difluoro-[1,3]dioxolo[4,5-b]pyridine?
The InChIKey is WRRQJIWQVITYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2NO2/c1-2-5-3-6-7(11-4-5)13-8(9,10)12-6/h3-4H,2H2,1H3.
What are the key properties of 6-ethyl-2,2-difluoro-[1,3]dioxolo[4,5-b]pyridine?
6-ethyl-2,2-difluoro-[1,3]dioxolo[4,5-b]pyridine has a molecular weight of 187.15 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,2-difluoro-[1,3]dioxolo[4,5-b]pyridine is sourced from PubChem (CID 168908427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).