1-hydroxy-3,4-dimethylpyridin-1-ium

C7H10NO+ — CID 20725343

IUPAC1-hydroxy-3,4-dimethylpyridin-1-ium
SMILESCc1cc[n+](O)cc1C
InChIInChI=1S/C7H10NO/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3/q+1
InChIKeyQKFCXVKZXDAJIE-UHFFFAOYSA-N
MW124.16 g/mol
LogP0.83
Rot. Bonds

About 1-hydroxy-3,4-dimethylpyridin-1-ium

1-hydroxy-3,4-dimethylpyridin-1-ium (PubChem CID 20725343) has the molecular formula C7H10NO+ and a molecular weight of 124.16 g/mol. Its IUPAC name is 1-hydroxy-3,4-dimethylpyridin-1-ium.

Molecular Properties

Compound Name1-hydroxy-3,4-dimethylpyridin-1-ium
PubChem CID20725343
Molecular FormulaC7H10NO+
Molecular Weight124.16 g/mol
Exact Mass124.08
IUPAC Name1-hydroxy-3,4-dimethylpyridin-1-ium
SMILESCc1cc[n+](O)cc1C
InChIInChI=1S/C7H10NO/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3/q+1
InChIKeyQKFCXVKZXDAJIE-UHFFFAOYSA-N
XLogP0.83
TPSA24.11 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.16
LogP ≤ 50.83
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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Related Compounds

Pyridine
CID 1049
Paraquat dichloride
CID 15938
3-Methylpyridine
CID 7970
4-Methylpyridine
CID 7963
4-Vinylpyridine
CID 7502
Paraquat
CID 15939
Myosmine
CID 442649
3-Cyanopyridine
CID 79
5-Ethyl-2-methylpyridine
CID 7728
Anabaseine
CID 18985
Rivanicline
CID 5310967
Pralidoxime
CID 135398747

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3,4-dimethylpyridin-1-ium?
The IUPAC name of 1-hydroxy-3,4-dimethylpyridin-1-ium (CID 20725343) is 1-hydroxy-3,4-dimethylpyridin-1-ium.
What is the SMILES notation for 1-hydroxy-3,4-dimethylpyridin-1-ium?
The canonical SMILES for 1-hydroxy-3,4-dimethylpyridin-1-ium is Cc1cc[n+](O)cc1C.
What is the InChIKey of 1-hydroxy-3,4-dimethylpyridin-1-ium?
The InChIKey is QKFCXVKZXDAJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10NO/c1-6-3-4-8(9)5-7(6)2/h3-5,9H,1-2H3/q+1.
What are the key properties of 1-hydroxy-3,4-dimethylpyridin-1-ium?
1-hydroxy-3,4-dimethylpyridin-1-ium has a molecular weight of 124.16 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3,4-dimethylpyridin-1-ium is sourced from PubChem (CID 20725343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).