2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethanamine;hydrochloride

C8H11ClN2O2 — CID 86346260

IUPAC2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethanamine;hydrochloride
SMILESCl.NCc1cc2c(cn1)OCCO2
InChIInChI=1S/C8H10N2O2.ClH/c9-4-6-3-7-8(5-10-6)12-2-1-11-7;/h3,5H,1-2,4,9H2;1H
InChIKeyDFONVPXIYNQGKJ-UHFFFAOYSA-N
MW202.64 g/mol
LogP0.73
Rot. Bonds1

About 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethanamine;hydrochloride

2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethanamine;hydrochloride (PubChem CID 86346260) has the molecular formula C8H11ClN2O2 and a molecular weight of 202.64 g/mol. Its IUPAC name is 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethanamine;hydrochloride.

Molecular Properties

Compound Name2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethanamine;hydrochloride
PubChem CID86346260
Molecular FormulaC8H11ClN2O2
Molecular Weight202.64 g/mol
Exact Mass202.05
IUPAC Name2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethanamine;hydrochloride
SMILESCl.NCc1cc2c(cn1)OCCO2
InChIInChI=1S/C8H10N2O2.ClH/c9-4-6-3-7-8(5-10-6)12-2-1-11-7;/h3,5H,1-2,4,9H2;1H
InChIKeyDFONVPXIYNQGKJ-UHFFFAOYSA-N
XLogP0.73
TPSA57.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.64
LogP ≤ 50.73
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-c]pyridin-7-ylmethanamine;hydrochloride?
The IUPAC name of 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethanamine;hydrochloride (CID 86346260) is 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethanamine;hydrochloride.
What is the SMILES notation for 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethanamine;hydrochloride?
The canonical SMILES for 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethanamine;hydrochloride is Cl.NCc1cc2c(cn1)OCCO2.
What is the InChIKey of 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethanamine;hydrochloride?
The InChIKey is DFONVPXIYNQGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2.ClH/c9-4-6-3-7-8(5-10-6)12-2-1-11-7;/h3,5H,1-2,4,9H2;1H.
What are the key properties of 2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethanamine;hydrochloride?
2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethanamine;hydrochloride has a molecular weight of 202.64 g/mol, XLogP of 0.73, 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-c]pyridin-7-ylmethanamine;hydrochloride is sourced from PubChem (CID 86346260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).