2-(2-fluoro-6-methylphenyl)-1-methylpyridin-1-ium

C13H13FN+ — CID 140800379

IUPAC2-(2-fluoro-6-methylphenyl)-1-methylpyridin-1-ium
SMILESCc1cccc(F)c1-c1cccc[n+]1C
InChIInChI=1S/C13H13FN/c1-10-6-5-7-11(14)13(10)12-8-3-4-9-15(12)2/h3-9H,1-2H3/q+1
InChIKeyGUXBASRJWYMTRY-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.63
Rot. Bonds1

About 2-(2-fluoro-6-methylphenyl)-1-methylpyridin-1-ium

2-(2-fluoro-6-methylphenyl)-1-methylpyridin-1-ium (PubChem CID 140800379) has the molecular formula C13H13FN+ and a molecular weight of 202.25 g/mol. Its IUPAC name is 2-(2-fluoro-6-methylphenyl)-1-methylpyridin-1-ium.

Molecular Properties

Compound Name2-(2-fluoro-6-methylphenyl)-1-methylpyridin-1-ium
PubChem CID140800379
Molecular FormulaC13H13FN+
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name2-(2-fluoro-6-methylphenyl)-1-methylpyridin-1-ium
SMILESCc1cccc(F)c1-c1cccc[n+]1C
InChIInChI=1S/C13H13FN/c1-10-6-5-7-11(14)13(10)12-8-3-4-9-15(12)2/h3-9H,1-2H3/q+1
InChIKeyGUXBASRJWYMTRY-UHFFFAOYSA-N
XLogP2.63
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-(2-ethynyl-6-fluorophenyl)-1-methylpyridin-1-ium
CID 170066655
1-methyl-2-(2-methyl-6-pyridin-4-ylphenyl)pyridin-1-ium
CID 176645803
2-(7-fluoro-3,6-dimethyldibenzofuran-4-yl)-1-methylpyridin-1-ium
CID 153003317
1-methyl-2-(2,5,9,9-tetramethylfluoren-1-yl)pyridin-1-ium
CID 159863789
1-methyl-2-(1-methylpyridin-1-ium-2-yl)pyridin-1-ium dichloride
CID 69331009
1-methyl-2,6-bis(1-methylpyridin-1-ium-2-yl)pyridin-1-ium
CID 58150990
4,5-difluoro-9-[3-fluoro-7-methyl-6-(1-methylpyridin-1-ium-2-yl)dibenzofuran-4-yl]carbazole
CID 168794128
bis(1,2-dimethyl-6-(2-methylphenyl)pyridin-1-ium);bis(1,3-dimethyl-2-(2-methylphenyl)pyridin-1-ium);2-(2,6-dimethylphenyl)-1-methylpyridin-1-ium
CID 162169216
6-fluoro-2-iodo-4-methyl-3-(1-methylpyridin-1-ium-2-yl)benzonitrile
CID 170336493
1-methyl-2-(1,1,3,3,5-pentamethyl-2H-inden-4-yl)pyridin-1-ium
CID 177075093
8-fluoro-2,9,9-trimethyl-1-(1-methylpyridin-1-ium-2-yl)fluorene-4-carbonitrile
CID 154615164
2-[7-fluoro-3-methyl-6-[3-(2-phenylpropan-2-yl)phenyl]dibenzofuran-4-yl]-1-methylpyridin-1-ium
CID 166038397

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-methylphenyl)-1-methylpyridin-1-ium?
The IUPAC name of 2-(2-fluoro-6-methylphenyl)-1-methylpyridin-1-ium (CID 140800379) is 2-(2-fluoro-6-methylphenyl)-1-methylpyridin-1-ium.
What is the SMILES notation for 2-(2-fluoro-6-methylphenyl)-1-methylpyridin-1-ium?
The canonical SMILES for 2-(2-fluoro-6-methylphenyl)-1-methylpyridin-1-ium is Cc1cccc(F)c1-c1cccc[n+]1C.
What is the InChIKey of 2-(2-fluoro-6-methylphenyl)-1-methylpyridin-1-ium?
The InChIKey is GUXBASRJWYMTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN/c1-10-6-5-7-11(14)13(10)12-8-3-4-9-15(12)2/h3-9H,1-2H3/q+1.
What are the key properties of 2-(2-fluoro-6-methylphenyl)-1-methylpyridin-1-ium?
2-(2-fluoro-6-methylphenyl)-1-methylpyridin-1-ium has a molecular weight of 202.25 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-methylphenyl)-1-methylpyridin-1-ium is sourced from PubChem (CID 140800379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).