2,3,5,6-tetrahydro-[1,4]dioxino[2,3-c]pyridine

C7H9NO2 — CID 173084042

IUPAC2,3,5,6-tetrahydro-[1,4]dioxino[2,3-c]pyridine
SMILESC1=CC2=C(CN1)OCCO2
InChIInChI=1S/C7H9NO2/c1-2-8-5-7-6(1)9-3-4-10-7/h1-2,8H,3-5H2
InChIKeyDMKNUCGSSJZRAC-UHFFFAOYSA-N
MW139.15 g/mol
LogP0.36
Rot. Bonds

About 2,3,5,6-tetrahydro-[1,4]dioxino[2,3-c]pyridine

2,3,5,6-tetrahydro-[1,4]dioxino[2,3-c]pyridine (PubChem CID 173084042) has the molecular formula C7H9NO2 and a molecular weight of 139.15 g/mol. Its IUPAC name is 2,3,5,6-tetrahydro-[1,4]dioxino[2,3-c]pyridine.

Molecular Properties

Compound Name2,3,5,6-tetrahydro-[1,4]dioxino[2,3-c]pyridine
PubChem CID173084042
Molecular FormulaC7H9NO2
Molecular Weight139.15 g/mol
Exact Mass139.06
IUPAC Name2,3,5,6-tetrahydro-[1,4]dioxino[2,3-c]pyridine
SMILESC1=CC2=C(CN1)OCCO2
InChIInChI=1S/C7H9NO2/c1-2-8-5-7-6(1)9-3-4-10-7/h1-2,8H,3-5H2
InChIKeyDMKNUCGSSJZRAC-UHFFFAOYSA-N
XLogP0.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.15
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-Dimethoxy-1,2-dihydropyridine
CID 18619796
3-Ethoxy-2-methoxy-1,2-dihydropyridine
CID 173058050
2-Ethoxy-3-propoxy-1,2-dihydropyridine
CID 173058117
2-Methoxy-3-propoxy-1,2-dihydropyridine
CID 173058141
2,3-Diethoxy-1,2-dihydropyridine
CID 173058163
6-methyl-3,5-dihydro-2H-[1,4]dioxino[2,3-c]pyridine
CID 173122604

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrahydro-[1,4]dioxino[2,3-c]pyridine?
The IUPAC name of 2,3,5,6-tetrahydro-[1,4]dioxino[2,3-c]pyridine (CID 173084042) is 2,3,5,6-tetrahydro-[1,4]dioxino[2,3-c]pyridine.
What is the SMILES notation for 2,3,5,6-tetrahydro-[1,4]dioxino[2,3-c]pyridine?
The canonical SMILES for 2,3,5,6-tetrahydro-[1,4]dioxino[2,3-c]pyridine is C1=CC2=C(CN1)OCCO2.
What is the InChIKey of 2,3,5,6-tetrahydro-[1,4]dioxino[2,3-c]pyridine?
The InChIKey is DMKNUCGSSJZRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO2/c1-2-8-5-7-6(1)9-3-4-10-7/h1-2,8H,3-5H2.
What are the key properties of 2,3,5,6-tetrahydro-[1,4]dioxino[2,3-c]pyridine?
2,3,5,6-tetrahydro-[1,4]dioxino[2,3-c]pyridine has a molecular weight of 139.15 g/mol, XLogP of 0.36, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrahydro-[1,4]dioxino[2,3-c]pyridine is sourced from PubChem (CID 173084042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).