2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethanamine;dihydrochloride

C8H12Cl2N2O2 — CID 154577349

IUPAC2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1ccc2c(n1)OCCO2
InChIInChI=1S/C8H10N2O2.2ClH/c9-5-6-1-2-7-8(10-6)12-4-3-11-7;;/h1-2H,3-5,9H2;2*1H
InChIKeyYLWKQQZNOYPNJN-UHFFFAOYSA-N
MW239.10 g/mol
LogP1.16
Rot. Bonds1

About 2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethanamine;dihydrochloride

2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethanamine;dihydrochloride (PubChem CID 154577349) has the molecular formula C8H12Cl2N2O2 and a molecular weight of 239.10 g/mol. Its IUPAC name is 2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethanamine;dihydrochloride.

Molecular Properties

Compound Name2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethanamine;dihydrochloride
PubChem CID154577349
Molecular FormulaC8H12Cl2N2O2
Molecular Weight239.10 g/mol
Exact Mass238.03
IUPAC Name2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethanamine;dihydrochloride
SMILESCl.Cl.NCc1ccc2c(n1)OCCO2
InChIInChI=1S/C8H10N2O2.2ClH/c9-5-6-1-2-7-8(10-6)12-4-3-11-7;;/h1-2H,3-5,9H2;2*1H
InChIKeyYLWKQQZNOYPNJN-UHFFFAOYSA-N
XLogP1.16
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.10
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethanamine;dihydrochloride?
The IUPAC name of 2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethanamine;dihydrochloride (CID 154577349) is 2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethanamine;dihydrochloride.
What is the SMILES notation for 2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethanamine;dihydrochloride?
The canonical SMILES for 2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethanamine;dihydrochloride is Cl.Cl.NCc1ccc2c(n1)OCCO2.
What is the InChIKey of 2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethanamine;dihydrochloride?
The InChIKey is YLWKQQZNOYPNJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.2ClH/c9-5-6-1-2-7-8(10-6)12-4-3-11-7;;/h1-2H,3-5,9H2;2*1H.
What are the key properties of 2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethanamine;dihydrochloride?
2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethanamine;dihydrochloride has a molecular weight of 239.10 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-ylmethanamine;dihydrochloride is sourced from PubChem (CID 154577349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).