1-methylpyridin-1-ium-2-ol

C6H8NO+ — CID 12600274

IUPAC1-methylpyridin-1-ium-2-ol
SMILESC[n+]1ccccc1O
InChIInChI=1S/C6H7NO/c1-7-5-3-2-4-6(7)8/h2-5H,1H3/p+1
InChIKeyDVVGIUUJYPYENY-UHFFFAOYSA-O
MW110.14 g/mol
LogP0.22
Rot. Bonds

About 1-methylpyridin-1-ium-2-ol

1-methylpyridin-1-ium-2-ol (PubChem CID 12600274) has the molecular formula C6H8NO+ and a molecular weight of 110.14 g/mol. Its IUPAC name is 1-methylpyridin-1-ium-2-ol.

Molecular Properties

Compound Name1-methylpyridin-1-ium-2-ol
PubChem CID12600274
Molecular FormulaC6H8NO+
Molecular Weight110.14 g/mol
Exact Mass110.06
IUPAC Name1-methylpyridin-1-ium-2-ol
SMILESC[n+]1ccccc1O
InChIInChI=1S/C6H7NO/c1-7-5-3-2-4-6(7)8/h2-5H,1H3/p+1
InChIKeyDVVGIUUJYPYENY-UHFFFAOYSA-O
XLogP0.22
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 ≤ 50.22
H-Bond Donors ≤ 51
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-methylpyridin-1-ium-2-ol?
The IUPAC name of 1-methylpyridin-1-ium-2-ol (CID 12600274) is 1-methylpyridin-1-ium-2-ol.
What is the SMILES notation for 1-methylpyridin-1-ium-2-ol?
The canonical SMILES for 1-methylpyridin-1-ium-2-ol is C[n+]1ccccc1O.
What is the InChIKey of 1-methylpyridin-1-ium-2-ol?
The InChIKey is DVVGIUUJYPYENY-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H7NO/c1-7-5-3-2-4-6(7)8/h2-5H,1H3/p+1.
What are the key properties of 1-methylpyridin-1-ium-2-ol?
1-methylpyridin-1-ium-2-ol has a molecular weight of 110.14 g/mol, XLogP of 0.22, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylpyridin-1-ium-2-ol is sourced from PubChem (CID 12600274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).