1-hydroxy-2-methylpyridin-1-ium

C6H8NO+ — CID 3628169

IUPAC1-hydroxy-2-methylpyridin-1-ium
SMILESCc1cccc[n+]1O
InChIInChI=1S/C6H8NO/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3/q+1
InChIKeyCEVZKGXFMZUTHP-UHFFFAOYSA-N
MW110.14 g/mol
LogP0.52
Rot. Bonds

About 1-hydroxy-2-methylpyridin-1-ium

1-hydroxy-2-methylpyridin-1-ium (PubChem CID 3628169) has the molecular formula C6H8NO+ and a molecular weight of 110.14 g/mol. Its IUPAC name is 1-hydroxy-2-methylpyridin-1-ium.

Molecular Properties

Compound Name1-hydroxy-2-methylpyridin-1-ium
PubChem CID3628169
Molecular FormulaC6H8NO+
Molecular Weight110.14 g/mol
Exact Mass110.06
IUPAC Name1-hydroxy-2-methylpyridin-1-ium
SMILESCc1cccc[n+]1O
InChIInChI=1S/C6H8NO/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3/q+1
InChIKeyCEVZKGXFMZUTHP-UHFFFAOYSA-N
XLogP0.52
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.14
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', '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-hydroxy-2-methylpyridin-1-ium?
The IUPAC name of 1-hydroxy-2-methylpyridin-1-ium (CID 3628169) is 1-hydroxy-2-methylpyridin-1-ium.
What is the SMILES notation for 1-hydroxy-2-methylpyridin-1-ium?
The canonical SMILES for 1-hydroxy-2-methylpyridin-1-ium is Cc1cccc[n+]1O.
What is the InChIKey of 1-hydroxy-2-methylpyridin-1-ium?
The InChIKey is CEVZKGXFMZUTHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NO/c1-6-4-2-3-5-7(6)8/h2-5,8H,1H3/q+1.
What are the key properties of 1-hydroxy-2-methylpyridin-1-ium?
1-hydroxy-2-methylpyridin-1-ium has a molecular weight of 110.14 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-methylpyridin-1-ium is sourced from PubChem (CID 3628169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).