6-hydroxy-4-methyl-5-(3-methylimidazol-3-ium-1-yl)-1H-pyridin-2-one

C10H12N3O2+ — CID 22948005

IUPAC6-hydroxy-4-methyl-5-(3-methylimidazol-3-ium-1-yl)-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]c(O)c1-n1cc[n+](C)c1
InChIInChI=1S/C10H11N3O2/c1-7-5-8(14)11-10(15)9(7)13-4-3-12(2)6-13/h3-6H,1-2H3,(H-,11,14,15)/p+1
InChIKeyLBHYPQGGHWTZTF-UHFFFAOYSA-O
MW206.22 g/mol
LogP0.00
Rot. Bonds1

About 6-hydroxy-4-methyl-5-(3-methylimidazol-3-ium-1-yl)-1H-pyridin-2-one

6-hydroxy-4-methyl-5-(3-methylimidazol-3-ium-1-yl)-1H-pyridin-2-one (PubChem CID 22948005) has the molecular formula C10H12N3O2+ and a molecular weight of 206.22 g/mol. Its IUPAC name is 6-hydroxy-4-methyl-5-(3-methylimidazol-3-ium-1-yl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-hydroxy-4-methyl-5-(3-methylimidazol-3-ium-1-yl)-1H-pyridin-2-one
PubChem CID22948005
Molecular FormulaC10H12N3O2+
Molecular Weight206.22 g/mol
Exact Mass206.09
IUPAC Name6-hydroxy-4-methyl-5-(3-methylimidazol-3-ium-1-yl)-1H-pyridin-2-one
SMILESCc1cc(=O)[nH]c(O)c1-n1cc[n+](C)c1
InChIInChI=1S/C10H11N3O2/c1-7-5-8(14)11-10(15)9(7)13-4-3-12(2)6-13/h3-6H,1-2H3,(H-,11,14,15)/p+1
InChIKeyLBHYPQGGHWTZTF-UHFFFAOYSA-O
XLogP0.00
TPSA61.90 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

2-((3-(1H-imidazol-1-yl)propyl)amino)-6-methylpyrimidin-4-ol
CID 135611993
N-(6-hydroxynicotinyl)-imidazole
CID 69980218
1-ethyl-N-[(1-isopropyl-1H-imidazol-2-yl)methyl]-2-oxo-1,2-dihydropyridine-4-carboxamide
CID 122562819
N,2-dimethyl-N-[(1-methylimidazol-2-yl)methyl]-6-oxo-1H-pyridine-4-carboxamide
CID 132304801
4-hydroxy-1-[3-(1H-imidazol-1-yl)propyl]-6-methylpyridin-2(1H)-one
CID 54710226
N-[1-(1H-imidazol-1-ylmethyl)propyl]-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 56707322
3-(imidazole-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 403403
3-ethyl-5-imidazol-1-yl-6-methyl-1H-pyridin-2-one;hydrochloride
CID 11694388
3-ethyl-5-imidazol-1-yl-6-methyl-1H-pyridin-2-one
CID 11694389
5-(-N-imidazolyl-carbonyl)-2-pyridone
CID 13537711
7-Ethylimidazo[1,2-a]pyrimidine-5-ol
CID 19975951
4-Imidazol-1-yl-1-methylpyridin-2-one
CID 20645399

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-methyl-5-(3-methylimidazol-3-ium-1-yl)-1H-pyridin-2-one?
The IUPAC name of 6-hydroxy-4-methyl-5-(3-methylimidazol-3-ium-1-yl)-1H-pyridin-2-one (CID 22948005) is 6-hydroxy-4-methyl-5-(3-methylimidazol-3-ium-1-yl)-1H-pyridin-2-one.
What is the SMILES notation for 6-hydroxy-4-methyl-5-(3-methylimidazol-3-ium-1-yl)-1H-pyridin-2-one?
The canonical SMILES for 6-hydroxy-4-methyl-5-(3-methylimidazol-3-ium-1-yl)-1H-pyridin-2-one is Cc1cc(=O)[nH]c(O)c1-n1cc[n+](C)c1.
What is the InChIKey of 6-hydroxy-4-methyl-5-(3-methylimidazol-3-ium-1-yl)-1H-pyridin-2-one?
The InChIKey is LBHYPQGGHWTZTF-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H11N3O2/c1-7-5-8(14)11-10(15)9(7)13-4-3-12(2)6-13/h3-6H,1-2H3,(H-,11,14,15)/p+1.
What are the key properties of 6-hydroxy-4-methyl-5-(3-methylimidazol-3-ium-1-yl)-1H-pyridin-2-one?
6-hydroxy-4-methyl-5-(3-methylimidazol-3-ium-1-yl)-1H-pyridin-2-one has a molecular weight of 206.22 g/mol, XLogP of 0.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-methyl-5-(3-methylimidazol-3-ium-1-yl)-1H-pyridin-2-one is sourced from PubChem (CID 22948005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).