1-methoxypyridin-1-ium-2-ol

C6H8NO2+ — CID 90783098

IUPAC1-methoxypyridin-1-ium-2-ol
SMILESCO[n+]1ccccc1O
InChIInChI=1S/C6H7NO2/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3/p+1
InChIKeyQQIZPGDMEQYXPB-UHFFFAOYSA-O
MW126.13 g/mol
LogP-0.26
Rot. Bonds1

About 1-methoxypyridin-1-ium-2-ol

1-methoxypyridin-1-ium-2-ol (PubChem CID 90783098) has the molecular formula C6H8NO2+ and a molecular weight of 126.13 g/mol. Its IUPAC name is 1-methoxypyridin-1-ium-2-ol.

Molecular Properties

Compound Name1-methoxypyridin-1-ium-2-ol
PubChem CID90783098
Molecular FormulaC6H8NO2+
Molecular Weight126.13 g/mol
Exact Mass126.05
IUPAC Name1-methoxypyridin-1-ium-2-ol
SMILESCO[n+]1ccccc1O
InChIInChI=1S/C6H7NO2/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3/p+1
InChIKeyQQIZPGDMEQYXPB-UHFFFAOYSA-O
XLogP-0.26
TPSA33.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.13
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methoxypyridin-1-ium-2-ol?
The IUPAC name of 1-methoxypyridin-1-ium-2-ol (CID 90783098) is 1-methoxypyridin-1-ium-2-ol.
What is the SMILES notation for 1-methoxypyridin-1-ium-2-ol?
The canonical SMILES for 1-methoxypyridin-1-ium-2-ol is CO[n+]1ccccc1O.
What is the InChIKey of 1-methoxypyridin-1-ium-2-ol?
The InChIKey is QQIZPGDMEQYXPB-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H7NO2/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3/p+1.
What are the key properties of 1-methoxypyridin-1-ium-2-ol?
1-methoxypyridin-1-ium-2-ol has a molecular weight of 126.13 g/mol, XLogP of -0.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxypyridin-1-ium-2-ol is sourced from PubChem (CID 90783098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).