[(2S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-yl]methanamine;dihydrochloride

C8H12Cl2N2O2 — CID 118991735

IUPAC[(2S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-yl]methanamine;dihydrochloride
SMILESCl.Cl.NC[C@H]1COc2ncccc2O1
InChIInChI=1S/C8H10N2O2.2ClH/c9-4-6-5-11-8-7(12-6)2-1-3-10-8;;/h1-3,6H,4-5,9H2;2*1H/t6-;;/m0../s1
InChIKeyDRJIJWJSZYYURV-ILKKLZGPSA-N
MW239.10 g/mol
LogP1.02
Rot. Bonds1

About [(2S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-yl]methanamine;dihydrochloride

[(2S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-yl]methanamine;dihydrochloride (PubChem CID 118991735) has the molecular formula C8H12Cl2N2O2 and a molecular weight of 239.10 g/mol. Its IUPAC name is [(2S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[(2S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-yl]methanamine;dihydrochloride
PubChem CID118991735
Molecular FormulaC8H12Cl2N2O2
Molecular Weight239.10 g/mol
Exact Mass238.03
IUPAC Name[(2S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-yl]methanamine;dihydrochloride
SMILESCl.Cl.NC[C@H]1COc2ncccc2O1
InChIInChI=1S/C8H10N2O2.2ClH/c9-4-6-5-11-8-7(12-6)2-1-3-10-8;;/h1-3,6H,4-5,9H2;2*1H/t6-;;/m0../s1
InChIKeyDRJIJWJSZYYURV-ILKKLZGPSA-N
XLogP1.02
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 ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-yl]methanamine;dihydrochloride?
The IUPAC name of [(2S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-yl]methanamine;dihydrochloride (CID 118991735) is [(2S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-yl]methanamine;dihydrochloride.
What is the SMILES notation for [(2S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-yl]methanamine;dihydrochloride?
The canonical SMILES for [(2S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-yl]methanamine;dihydrochloride is Cl.Cl.NC[C@H]1COc2ncccc2O1.
What is the InChIKey of [(2S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-yl]methanamine;dihydrochloride?
The InChIKey is DRJIJWJSZYYURV-ILKKLZGPSA-N. The full InChI is InChI=1S/C8H10N2O2.2ClH/c9-4-6-5-11-8-7(12-6)2-1-3-10-8;;/h1-3,6H,4-5,9H2;2*1H/t6-;;/m0../s1.
What are the key properties of [(2S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-yl]methanamine;dihydrochloride?
[(2S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-yl]methanamine;dihydrochloride has a molecular weight of 239.10 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-2-yl]methanamine;dihydrochloride is sourced from PubChem (CID 118991735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).