1-hydroxy-5-methoxy-2-methylpyridin-1-ium

C7H10NO2+ — CID 142869474

IUPAC1-hydroxy-5-methoxy-2-methylpyridin-1-ium
SMILESCOc1ccc(C)[n+](O)c1
InChIInChI=1S/C7H10NO2/c1-6-3-4-7(10-2)5-8(6)9/h3-5,9H,1-2H3/q+1
InChIKeyLSEICWUYTSQZQI-UHFFFAOYSA-N
MW140.16 g/mol
LogP0.53
Rot. Bonds1

About 1-hydroxy-5-methoxy-2-methylpyridin-1-ium

1-hydroxy-5-methoxy-2-methylpyridin-1-ium (PubChem CID 142869474) has the molecular formula C7H10NO2+ and a molecular weight of 140.16 g/mol. Its IUPAC name is 1-hydroxy-5-methoxy-2-methylpyridin-1-ium.

Molecular Properties

Compound Name1-hydroxy-5-methoxy-2-methylpyridin-1-ium
PubChem CID142869474
Molecular FormulaC7H10NO2+
Molecular Weight140.16 g/mol
Exact Mass140.07
IUPAC Name1-hydroxy-5-methoxy-2-methylpyridin-1-ium
SMILESCOc1ccc(C)[n+](O)c1
InChIInChI=1S/C7H10NO2/c1-6-3-4-7(10-2)5-8(6)9/h3-5,9H,1-2H3/q+1
InChIKeyLSEICWUYTSQZQI-UHFFFAOYSA-N
XLogP0.53
TPSA33.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-5-methoxy-2-methylpyridin-1-ium?
The IUPAC name of 1-hydroxy-5-methoxy-2-methylpyridin-1-ium (CID 142869474) is 1-hydroxy-5-methoxy-2-methylpyridin-1-ium.
What is the SMILES notation for 1-hydroxy-5-methoxy-2-methylpyridin-1-ium?
The canonical SMILES for 1-hydroxy-5-methoxy-2-methylpyridin-1-ium is COc1ccc(C)[n+](O)c1.
What is the InChIKey of 1-hydroxy-5-methoxy-2-methylpyridin-1-ium?
The InChIKey is LSEICWUYTSQZQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10NO2/c1-6-3-4-7(10-2)5-8(6)9/h3-5,9H,1-2H3/q+1.
What are the key properties of 1-hydroxy-5-methoxy-2-methylpyridin-1-ium?
1-hydroxy-5-methoxy-2-methylpyridin-1-ium has a molecular weight of 140.16 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-5-methoxy-2-methylpyridin-1-ium is sourced from PubChem (CID 142869474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).