2-([1,3]dioxolo[4,5-c]pyridin-4-yl)ethanamine

C8H10N2O2 — CID 82597080

IUPAC2-([1,3]dioxolo[4,5-c]pyridin-4-yl)ethanamine
SMILESNCCc1nccc2c1OCO2
InChIInChI=1S/C8H10N2O2/c9-3-1-6-8-7(2-4-10-6)11-5-12-8/h2,4H,1,3,5,9H2
InChIKeyUOEWHBXRYRIVLX-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.31
Rot. Bonds2

About 2-([1,3]dioxolo[4,5-c]pyridin-4-yl)ethanamine

2-([1,3]dioxolo[4,5-c]pyridin-4-yl)ethanamine (PubChem CID 82597080) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2-([1,3]dioxolo[4,5-c]pyridin-4-yl)ethanamine.

Molecular Properties

Compound Name2-([1,3]dioxolo[4,5-c]pyridin-4-yl)ethanamine
PubChem CID82597080
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name2-([1,3]dioxolo[4,5-c]pyridin-4-yl)ethanamine
SMILESNCCc1nccc2c1OCO2
InChIInChI=1S/C8H10N2O2/c9-3-1-6-8-7(2-4-10-6)11-5-12-8/h2,4H,1,3,5,9H2
InChIKeyUOEWHBXRYRIVLX-UHFFFAOYSA-N
XLogP0.31
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-([1,3]dioxolo[4,5-c]pyridin-4-yl)ethanamine?
The IUPAC name of 2-([1,3]dioxolo[4,5-c]pyridin-4-yl)ethanamine (CID 82597080) is 2-([1,3]dioxolo[4,5-c]pyridin-4-yl)ethanamine.
What is the SMILES notation for 2-([1,3]dioxolo[4,5-c]pyridin-4-yl)ethanamine?
The canonical SMILES for 2-([1,3]dioxolo[4,5-c]pyridin-4-yl)ethanamine is NCCc1nccc2c1OCO2.
What is the InChIKey of 2-([1,3]dioxolo[4,5-c]pyridin-4-yl)ethanamine?
The InChIKey is UOEWHBXRYRIVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c9-3-1-6-8-7(2-4-10-6)11-5-12-8/h2,4H,1,3,5,9H2.
What are the key properties of 2-([1,3]dioxolo[4,5-c]pyridin-4-yl)ethanamine?
2-([1,3]dioxolo[4,5-c]pyridin-4-yl)ethanamine has a molecular weight of 166.18 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-([1,3]dioxolo[4,5-c]pyridin-4-yl)ethanamine is sourced from PubChem (CID 82597080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).