2-imidazol-1-yl-1-methylpyridin-1-ium

C9H10N3+ — CID 19742632

IUPAC2-imidazol-1-yl-1-methylpyridin-1-ium
SMILESC[n+]1ccccc1-n1ccnc1
InChIInChI=1S/C9H10N3/c1-11-6-3-2-4-9(11)12-7-5-10-8-12/h2-8H,1H3/q+1
InChIKeyDKXVDWOLFYEGPX-UHFFFAOYSA-N
MW160.20 g/mol
LogP0.70
Rot. Bonds1

About 2-imidazol-1-yl-1-methylpyridin-1-ium

2-imidazol-1-yl-1-methylpyridin-1-ium (PubChem CID 19742632) has the molecular formula C9H10N3+ and a molecular weight of 160.20 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-methylpyridin-1-ium.

Molecular Properties

Compound Name2-imidazol-1-yl-1-methylpyridin-1-ium
PubChem CID19742632
Molecular FormulaC9H10N3+
Molecular Weight160.20 g/mol
Exact Mass160.09
IUPAC Name2-imidazol-1-yl-1-methylpyridin-1-ium
SMILESC[n+]1ccccc1-n1ccnc1
InChIInChI=1S/C9H10N3/c1-11-6-3-2-4-9(11)12-7-5-10-8-12/h2-8H,1H3/q+1
InChIKeyDKXVDWOLFYEGPX-UHFFFAOYSA-N
XLogP0.70
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 24766159
2-[(2R)-2,3-dimethyl-2H-imidazol-1-yl]-1-methylpyridin-1-ium
CID 58240315
3-imidazol-1-ylpyridazine
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2-imidazol-1-ylaniline;dihydrochloride
CID 46786017
ethane;(2S)-2-methyl-1-(1-methylpyridin-1-ium-2-yl)-2H-pyrimidine
CID 91389448
1-[2,3-di(imidazol-1-yl)phenyl]imidazole
CID 141435532
1-(2-imidazol-1-ylphenyl)pyrazole
CID 125480234
1-naphthalen-2-ylimidazole
CID 23644748
CID 177128854
CID 177128854
1-[2-(2,2-dimethylpropyl)phenyl]imidazole
CID 169321927
1-(2-imidazol-1-ylphenyl)-N,N-dimethylmethanamine
CID 175241925
2-imidazol-1-yl-3-methylphenol
CID 70472406

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-methylpyridin-1-ium?
The IUPAC name of 2-imidazol-1-yl-1-methylpyridin-1-ium (CID 19742632) is 2-imidazol-1-yl-1-methylpyridin-1-ium.
What is the SMILES notation for 2-imidazol-1-yl-1-methylpyridin-1-ium?
The canonical SMILES for 2-imidazol-1-yl-1-methylpyridin-1-ium is C[n+]1ccccc1-n1ccnc1.
What is the InChIKey of 2-imidazol-1-yl-1-methylpyridin-1-ium?
The InChIKey is DKXVDWOLFYEGPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N3/c1-11-6-3-2-4-9(11)12-7-5-10-8-12/h2-8H,1H3/q+1.
What are the key properties of 2-imidazol-1-yl-1-methylpyridin-1-ium?
2-imidazol-1-yl-1-methylpyridin-1-ium has a molecular weight of 160.20 g/mol, XLogP of 0.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-methylpyridin-1-ium is sourced from PubChem (CID 19742632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).