2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;ethane

C9H13NO2 — CID 91423085

IUPAC2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;ethane
SMILESCC.c1cnc2c(c1)OCCO2
InChIInChI=1S/C7H7NO2.C2H6/c1-2-6-7(8-3-1)10-5-4-9-6;1-2/h1-3H,4-5H2;1-2H3
InChIKeyBJYSQBACFDIVES-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.88
Rot. Bonds

About 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;ethane

2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;ethane (PubChem CID 91423085) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;ethane.

Molecular Properties

Compound Name2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;ethane
PubChem CID91423085
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;ethane
SMILESCC.c1cnc2c(c1)OCCO2
InChIInChI=1S/C7H7NO2.C2H6/c1-2-6-7(8-3-1)10-5-4-9-6;1-2/h1-3H,4-5H2;1-2H3
InChIKeyBJYSQBACFDIVES-UHFFFAOYSA-N
XLogP1.88
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;ethane?
The IUPAC name of 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;ethane (CID 91423085) is 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;ethane.
What is the SMILES notation for 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;ethane?
The canonical SMILES for 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;ethane is CC.c1cnc2c(c1)OCCO2.
What is the InChIKey of 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;ethane?
The InChIKey is BJYSQBACFDIVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2.C2H6/c1-2-6-7(8-3-1)10-5-4-9-6;1-2/h1-3H,4-5H2;1-2H3.
What are the key properties of 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;ethane?
2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;ethane has a molecular weight of 167.21 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-[1,4]dioxino[2,3-b]pyridine;ethane is sourced from PubChem (CID 91423085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).