2-(1,4-dioxan-2-yl)pyridine;hydrochloride

C9H12ClNO2 — CID 174921928

IUPAC2-(1,4-dioxan-2-yl)pyridine;hydrochloride
SMILESCl.c1ccc(C2COCCO2)nc1
InChIInChI=1S/C9H11NO2.ClH/c1-2-4-10-8(3-1)9-7-11-5-6-12-9;/h1-4,9H,5-7H2;1H
InChIKeyQSWFEURRYYQBKN-UHFFFAOYSA-N
MW201.65 g/mol
LogP1.59
Rot. Bonds1

About 2-(1,4-dioxan-2-yl)pyridine;hydrochloride

2-(1,4-dioxan-2-yl)pyridine;hydrochloride (PubChem CID 174921928) has the molecular formula C9H12ClNO2 and a molecular weight of 201.65 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-yl)pyridine;hydrochloride.

Molecular Properties

Compound Name2-(1,4-dioxan-2-yl)pyridine;hydrochloride
PubChem CID174921928
Molecular FormulaC9H12ClNO2
Molecular Weight201.65 g/mol
Exact Mass201.06
IUPAC Name2-(1,4-dioxan-2-yl)pyridine;hydrochloride
SMILESCl.c1ccc(C2COCCO2)nc1
InChIInChI=1S/C9H11NO2.ClH/c1-2-4-10-8(3-1)9-7-11-5-6-12-9;/h1-4,9H,5-7H2;1H
InChIKeyQSWFEURRYYQBKN-UHFFFAOYSA-N
XLogP1.59
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.65
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxan-2-yl)pyridine;hydrochloride?
The IUPAC name of 2-(1,4-dioxan-2-yl)pyridine;hydrochloride (CID 174921928) is 2-(1,4-dioxan-2-yl)pyridine;hydrochloride.
What is the SMILES notation for 2-(1,4-dioxan-2-yl)pyridine;hydrochloride?
The canonical SMILES for 2-(1,4-dioxan-2-yl)pyridine;hydrochloride is Cl.c1ccc(C2COCCO2)nc1.
What is the InChIKey of 2-(1,4-dioxan-2-yl)pyridine;hydrochloride?
The InChIKey is QSWFEURRYYQBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2.ClH/c1-2-4-10-8(3-1)9-7-11-5-6-12-9;/h1-4,9H,5-7H2;1H.
What are the key properties of 2-(1,4-dioxan-2-yl)pyridine;hydrochloride?
2-(1,4-dioxan-2-yl)pyridine;hydrochloride has a molecular weight of 201.65 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxan-2-yl)pyridine;hydrochloride is sourced from PubChem (CID 174921928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).