1,2-dimethylimidazole;1-hydroxy-4-methylpyridin-1-ium

C11H16N3O+ — CID 143854706

IUPAC1,2-dimethylimidazole;1-hydroxy-4-methylpyridin-1-ium
SMILESCc1cc[n+](O)cc1.Cc1nccn1C
InChIInChI=1S/C6H8NO.C5H8N2/c1-6-2-4-7(8)5-3-6;1-5-6-3-4-7(5)2/h2-5,8H,1H3;3-4H,1-2H3/q+1;
InChIKeyHNPFXSZVTMKSIC-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.25
Rot. Bonds

About 1,2-dimethylimidazole;1-hydroxy-4-methylpyridin-1-ium

1,2-dimethylimidazole;1-hydroxy-4-methylpyridin-1-ium (PubChem CID 143854706) has the molecular formula C11H16N3O+ and a molecular weight of 206.27 g/mol. Its IUPAC name is 1,2-dimethylimidazole;1-hydroxy-4-methylpyridin-1-ium.

Molecular Properties

Compound Name1,2-dimethylimidazole;1-hydroxy-4-methylpyridin-1-ium
PubChem CID143854706
Molecular FormulaC11H16N3O+
Molecular Weight206.27 g/mol
Exact Mass206.13
IUPAC Name1,2-dimethylimidazole;1-hydroxy-4-methylpyridin-1-ium
SMILESCc1cc[n+](O)cc1.Cc1nccn1C
InChIInChI=1S/C6H8NO.C5H8N2/c1-6-2-4-7(8)5-3-6;1-5-6-3-4-7(5)2/h2-5,8H,1H3;3-4H,1-2H3/q+1;
InChIKeyHNPFXSZVTMKSIC-UHFFFAOYSA-N
XLogP1.25
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

1-hydroxy-4-methylpyridin-1-ium
CID 3877972
tris(1,2-dimethylimidazole);trihydroxy(methyl)phosphanium
CID 173068105
1,2-dimethylimidazole;urea
CID 174990589
1,2-dimethylimidazole;trifluoroborane
CID 171040969
CID 88627468
CID 88627468
1,2-dimethylimidazole;piperidine
CID 142002263
dicopper;hexakis(1,2-dimethylimidazole);bis(hexafluoroantimony(1-));peroxide
CID 56649293
1-methyl-2-[4-(1-methylimidazol-2-yl)phenyl]imidazole
CID 1088925
1,2-dimethylimidazole;isoindole-1,3-dione
CID 174411656
1-methyl-2-[4-[4-(1-methylimidazol-2-yl)phenyl]phenyl]imidazole
CID 132575754
1,2-dimethylimidazole;2,5-dimethyl-1,3-thiazole
CID 91557964
1,2-dimethylimidazole;1H-imidazole;sulfurochloridic acid
CID 175045185

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethylimidazole;1-hydroxy-4-methylpyridin-1-ium?
The IUPAC name of 1,2-dimethylimidazole;1-hydroxy-4-methylpyridin-1-ium (CID 143854706) is 1,2-dimethylimidazole;1-hydroxy-4-methylpyridin-1-ium.
What is the SMILES notation for 1,2-dimethylimidazole;1-hydroxy-4-methylpyridin-1-ium?
The canonical SMILES for 1,2-dimethylimidazole;1-hydroxy-4-methylpyridin-1-ium is Cc1cc[n+](O)cc1.Cc1nccn1C.
What is the InChIKey of 1,2-dimethylimidazole;1-hydroxy-4-methylpyridin-1-ium?
The InChIKey is HNPFXSZVTMKSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NO.C5H8N2/c1-6-2-4-7(8)5-3-6;1-5-6-3-4-7(5)2/h2-5,8H,1H3;3-4H,1-2H3/q+1;.
What are the key properties of 1,2-dimethylimidazole;1-hydroxy-4-methylpyridin-1-ium?
1,2-dimethylimidazole;1-hydroxy-4-methylpyridin-1-ium has a molecular weight of 206.27 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethylimidazole;1-hydroxy-4-methylpyridin-1-ium is sourced from PubChem (CID 143854706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).