[1,3]dioxolo[4,5-c]pyridin-6-ylmethanamine;dihydrochloride

C7H10Cl2N2O2 — CID 126824914

IUPAC[1,3]dioxolo[4,5-c]pyridin-6-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1cc2c(cn1)OCO2
InChIInChI=1S/C7H8N2O2.2ClH/c8-2-5-1-6-7(3-9-5)11-4-10-6;;/h1,3H,2,4,8H2;2*1H
InChIKeyJKLUWXRLLBBYQO-UHFFFAOYSA-N
MW225.07 g/mol
LogP1.11
Rot. Bonds1

About [1,3]dioxolo[4,5-c]pyridin-6-ylmethanamine;dihydrochloride

[1,3]dioxolo[4,5-c]pyridin-6-ylmethanamine;dihydrochloride (PubChem CID 126824914) has the molecular formula C7H10Cl2N2O2 and a molecular weight of 225.07 g/mol. Its IUPAC name is [1,3]dioxolo[4,5-c]pyridin-6-ylmethanamine;dihydrochloride.

Molecular Properties

Compound Name[1,3]dioxolo[4,5-c]pyridin-6-ylmethanamine;dihydrochloride
PubChem CID126824914
Molecular FormulaC7H10Cl2N2O2
Molecular Weight225.07 g/mol
Exact Mass224.01
IUPAC Name[1,3]dioxolo[4,5-c]pyridin-6-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1cc2c(cn1)OCO2
InChIInChI=1S/C7H8N2O2.2ClH/c8-2-5-1-6-7(3-9-5)11-4-10-6;;/h1,3H,2,4,8H2;2*1H
InChIKeyJKLUWXRLLBBYQO-UHFFFAOYSA-N
XLogP1.11
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.07
LogP ≤ 51.11
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-c]pyridin-6-ylmethanamine;dihydrochloride?
The IUPAC name of [1,3]dioxolo[4,5-c]pyridin-6-ylmethanamine;dihydrochloride (CID 126824914) is [1,3]dioxolo[4,5-c]pyridin-6-ylmethanamine;dihydrochloride.
What is the SMILES notation for [1,3]dioxolo[4,5-c]pyridin-6-ylmethanamine;dihydrochloride?
The canonical SMILES for [1,3]dioxolo[4,5-c]pyridin-6-ylmethanamine;dihydrochloride is Cl.Cl.NCc1cc2c(cn1)OCO2.
What is the InChIKey of [1,3]dioxolo[4,5-c]pyridin-6-ylmethanamine;dihydrochloride?
The InChIKey is JKLUWXRLLBBYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2.2ClH/c8-2-5-1-6-7(3-9-5)11-4-10-6;;/h1,3H,2,4,8H2;2*1H.
What are the key properties of [1,3]dioxolo[4,5-c]pyridin-6-ylmethanamine;dihydrochloride?
[1,3]dioxolo[4,5-c]pyridin-6-ylmethanamine;dihydrochloride has a molecular weight of 225.07 g/mol, XLogP of 1.11, 1 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-c]pyridin-6-ylmethanamine;dihydrochloride is sourced from PubChem (CID 126824914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).