1-(2-methoxyethyl)pyridin-1-ium chloride

C8H12ClNO — CID 15355439

IUPAC1-(2-methoxyethyl)pyridin-1-ium chloride
SMILESCOCC[n+]1ccccc1.[Cl-]
InChIInChI=1S/C8H12NO.ClH/c1-10-8-7-9-5-3-2-4-6-9;/h2-6H,7-8H2,1H3;1H/q+1;/p-1
InChIKeyRMZOTJHSDXQTKG-UHFFFAOYSA-M
MW173.64 g/mol
LogP-2.38
Rot. Bonds3

About 1-(2-methoxyethyl)pyridin-1-ium chloride

1-(2-methoxyethyl)pyridin-1-ium chloride (PubChem CID 15355439) has the molecular formula C8H12ClNO and a molecular weight of 173.64 g/mol. Its IUPAC name is 1-(2-methoxyethyl)pyridin-1-ium chloride.

Molecular Properties

Compound Name1-(2-methoxyethyl)pyridin-1-ium chloride
PubChem CID15355439
Molecular FormulaC8H12ClNO
Molecular Weight173.64 g/mol
Exact Mass173.06
IUPAC Name1-(2-methoxyethyl)pyridin-1-ium chloride
SMILESCOCC[n+]1ccccc1.[Cl-]
InChIInChI=1S/C8H12NO.ClH/c1-10-8-7-9-5-3-2-4-6-9;/h2-6H,7-8H2,1H3;1H/q+1;/p-1
InChIKeyRMZOTJHSDXQTKG-UHFFFAOYSA-M
XLogP-2.38
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.64
LogP ≤ 5-2.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)pyridin-1-ium chloride?
The IUPAC name of 1-(2-methoxyethyl)pyridin-1-ium chloride (CID 15355439) is 1-(2-methoxyethyl)pyridin-1-ium chloride.
What is the SMILES notation for 1-(2-methoxyethyl)pyridin-1-ium chloride?
The canonical SMILES for 1-(2-methoxyethyl)pyridin-1-ium chloride is COCC[n+]1ccccc1.[Cl-].
What is the InChIKey of 1-(2-methoxyethyl)pyridin-1-ium chloride?
The InChIKey is RMZOTJHSDXQTKG-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H12NO.ClH/c1-10-8-7-9-5-3-2-4-6-9;/h2-6H,7-8H2,1H3;1H/q+1;/p-1.
What are the key properties of 1-(2-methoxyethyl)pyridin-1-ium chloride?
1-(2-methoxyethyl)pyridin-1-ium chloride has a molecular weight of 173.64 g/mol, XLogP of -2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)pyridin-1-ium chloride is sourced from PubChem (CID 15355439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).