[1,3]dioxolo[4,5-b]pyridin-6-amine

C6H6N2O2 — CID 82418500

IUPAC[1,3]dioxolo[4,5-b]pyridin-6-amine
SMILESNc1cnc2c(c1)OCO2
InChIInChI=1S/C6H6N2O2/c7-4-1-5-6(8-2-4)10-3-9-5/h1-2H,3,7H2
InChIKeyHEDCSLNHFAWSGN-UHFFFAOYSA-N
MW138.13 g/mol
LogP0.39
Rot. Bonds

About [1,3]dioxolo[4,5-b]pyridin-6-amine

[1,3]dioxolo[4,5-b]pyridin-6-amine (PubChem CID 82418500) has the molecular formula C6H6N2O2 and a molecular weight of 138.13 g/mol. Its IUPAC name is [1,3]dioxolo[4,5-b]pyridin-6-amine.

Molecular Properties

Compound Name[1,3]dioxolo[4,5-b]pyridin-6-amine
PubChem CID82418500
Molecular FormulaC6H6N2O2
Molecular Weight138.13 g/mol
Exact Mass138.04
IUPAC Name[1,3]dioxolo[4,5-b]pyridin-6-amine
SMILESNc1cnc2c(c1)OCO2
InChIInChI=1S/C6H6N2O2/c7-4-1-5-6(8-2-4)10-3-9-5/h1-2H,3,7H2
InChIKeyHEDCSLNHFAWSGN-UHFFFAOYSA-N
XLogP0.39
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1,3]dioxolo[4,5-b]pyridin-6-amine?
The IUPAC name of [1,3]dioxolo[4,5-b]pyridin-6-amine (CID 82418500) is [1,3]dioxolo[4,5-b]pyridin-6-amine.
What is the SMILES notation for [1,3]dioxolo[4,5-b]pyridin-6-amine?
The canonical SMILES for [1,3]dioxolo[4,5-b]pyridin-6-amine is Nc1cnc2c(c1)OCO2.
What is the InChIKey of [1,3]dioxolo[4,5-b]pyridin-6-amine?
The InChIKey is HEDCSLNHFAWSGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2/c7-4-1-5-6(8-2-4)10-3-9-5/h1-2H,3,7H2.
What are the key properties of [1,3]dioxolo[4,5-b]pyridin-6-amine?
[1,3]dioxolo[4,5-b]pyridin-6-amine has a molecular weight of 138.13 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3]dioxolo[4,5-b]pyridin-6-amine is sourced from PubChem (CID 82418500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).