2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethanol;hydrochloride

C8H10ClNO3 — CID 119032041

IUPAC2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethanol;hydrochloride
SMILESCl.OCC1COc2cccnc2O1
InChIInChI=1S/C8H9NO3.ClH/c10-4-6-5-11-7-2-1-3-9-8(7)12-6;/h1-3,6,10H,4-5H2;1H
InChIKeyDGYQFHJGCDOJMM-UHFFFAOYSA-N
MW203.62 g/mol
LogP0.64
Rot. Bonds1

About 2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethanol;hydrochloride

2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethanol;hydrochloride (PubChem CID 119032041) has the molecular formula C8H10ClNO3 and a molecular weight of 203.62 g/mol. Its IUPAC name is 2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethanol;hydrochloride.

Molecular Properties

Compound Name2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethanol;hydrochloride
PubChem CID119032041
Molecular FormulaC8H10ClNO3
Molecular Weight203.62 g/mol
Exact Mass203.03
IUPAC Name2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethanol;hydrochloride
SMILESCl.OCC1COc2cccnc2O1
InChIInChI=1S/C8H9NO3.ClH/c10-4-6-5-11-7-2-1-3-9-8(7)12-6;/h1-3,6,10H,4-5H2;1H
InChIKeyDGYQFHJGCDOJMM-UHFFFAOYSA-N
XLogP0.64
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.62
LogP ≤ 50.64
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-3-ylmethanol;hydrochloride?
The IUPAC name of 2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethanol;hydrochloride (CID 119032041) is 2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethanol;hydrochloride.
What is the SMILES notation for 2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethanol;hydrochloride?
The canonical SMILES for 2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethanol;hydrochloride is Cl.OCC1COc2cccnc2O1.
What is the InChIKey of 2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethanol;hydrochloride?
The InChIKey is DGYQFHJGCDOJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3.ClH/c10-4-6-5-11-7-2-1-3-9-8(7)12-6;/h1-3,6,10H,4-5H2;1H.
What are the key properties of 2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethanol;hydrochloride?
2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-3-ylmethanol;hydrochloride has a molecular weight of 203.62 g/mol, XLogP of 0.64, 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-3-ylmethanol;hydrochloride is sourced from PubChem (CID 119032041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).