1-oxidopyridin-1-ium;hydrochloride

C5H6ClNO — CID 13001057

IUPAC1-oxidopyridin-1-ium;hydrochloride
SMILESCl.[O-][n+]1ccccc1
InChIInChI=1S/C5H5NO.ClH/c7-6-4-2-1-3-5-6;/h1-5H;1H
InChIKeyDZJLJUXZISUCGU-UHFFFAOYSA-N
MW131.56 g/mol
LogP0.74
Rot. Bonds

About 1-oxidopyridin-1-ium;hydrochloride

1-oxidopyridin-1-ium;hydrochloride (PubChem CID 13001057) has the molecular formula C5H6ClNO and a molecular weight of 131.56 g/mol. Its IUPAC name is 1-oxidopyridin-1-ium;hydrochloride.

Molecular Properties

Compound Name1-oxidopyridin-1-ium;hydrochloride
PubChem CID13001057
Molecular FormulaC5H6ClNO
Molecular Weight131.56 g/mol
Exact Mass131.01
IUPAC Name1-oxidopyridin-1-ium;hydrochloride
SMILESCl.[O-][n+]1ccccc1
InChIInChI=1S/C5H5NO.ClH/c7-6-4-2-1-3-5-6;/h1-5H;1H
InChIKeyDZJLJUXZISUCGU-UHFFFAOYSA-N
XLogP0.74
TPSA26.94 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.56
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-oxidopyridin-1-ium;hydrochloride?
The IUPAC name of 1-oxidopyridin-1-ium;hydrochloride (CID 13001057) is 1-oxidopyridin-1-ium;hydrochloride.
What is the SMILES notation for 1-oxidopyridin-1-ium;hydrochloride?
The canonical SMILES for 1-oxidopyridin-1-ium;hydrochloride is Cl.[O-][n+]1ccccc1.
What is the InChIKey of 1-oxidopyridin-1-ium;hydrochloride?
The InChIKey is DZJLJUXZISUCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NO.ClH/c7-6-4-2-1-3-5-6;/h1-5H;1H.
What are the key properties of 1-oxidopyridin-1-ium;hydrochloride?
1-oxidopyridin-1-ium;hydrochloride has a molecular weight of 131.56 g/mol, XLogP of 0.74, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxidopyridin-1-ium;hydrochloride is sourced from PubChem (CID 13001057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).