5-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium

C13H13FN+ — CID 123794284

IUPAC5-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium
SMILESCc1ccccc1-c1ccc(F)c[n+]1C
InChIInChI=1S/C13H13FN/c1-10-5-3-4-6-12(10)13-8-7-11(14)9-15(13)2/h3-9H,1-2H3/q+1
InChIKeyWVJHFEAWLYUFFI-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.63
Rot. Bonds1

About 5-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium

5-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium (PubChem CID 123794284) has the molecular formula C13H13FN+ and a molecular weight of 202.25 g/mol. Its IUPAC name is 5-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium.

Molecular Properties

Compound Name5-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium
PubChem CID123794284
Molecular FormulaC13H13FN+
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name5-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium
SMILESCc1ccccc1-c1ccc(F)c[n+]1C
InChIInChI=1S/C13H13FN/c1-10-5-3-4-6-12(10)13-8-7-11(14)9-15(13)2/h3-9H,1-2H3/q+1
InChIKeyWVJHFEAWLYUFFI-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

1-methyl-5-(3-methylpentan-3-yl)-2-(2-methylphenyl)pyridin-1-ium
CID 153461108
1,5-dimethyl-2-[2-methyl-3-(2-methylphenyl)phenyl]pyridin-1-ium
CID 140920519
2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1,3,5-triazine
CID 58421094
5-(4-heptacyclo[25.3.1.12,6.17,11.112,16.117,21.122,26]hexatriaconta-1(30),2(36),3,5,7,9,11(35),12,14,16(34),17,19,21(33),22(32),23,25,27(31),28-octadecaenyl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 171043690
1,5-dimethyl-2-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-2-yl]pyridin-1-ium
CID 140944271
N-[1-methyl-6-(2-methylphenyl)pyridin-1-ium-3-yl]-1-phenylmethanimine
CID 169277721
2,6,6-trimethyl-3-(2-methylphenyl)-5,7-dihydrocyclopenta[c]pyridin-2-ium
CID 170685276
5-(2-deuteriopropan-2-yl)-4-(6-fluoronaphthalen-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140830033
5-[4-(1,1-dideuterio-2,2-dimethylpropyl)phenyl]-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140777883
4,5-bis(2-deuteriopropan-2-yl)-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 140878082
5-(1,1-dideuterioethyl)-1,4-dimethyl-2-(2-methylphenyl)pyridin-1-ium
CID 157161414
4-tert-butyl-1-methyl-2-(2-methylphenyl)pyridin-1-ium
CID 59773314

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium?
The IUPAC name of 5-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium (CID 123794284) is 5-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium.
What is the SMILES notation for 5-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium?
The canonical SMILES for 5-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium is Cc1ccccc1-c1ccc(F)c[n+]1C.
What is the InChIKey of 5-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium?
The InChIKey is WVJHFEAWLYUFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN/c1-10-5-3-4-6-12(10)13-8-7-11(14)9-15(13)2/h3-9H,1-2H3/q+1.
What are the key properties of 5-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium?
5-fluoro-1-methyl-2-(2-methylphenyl)pyridin-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 5-fluoro-1-methyl-2-(2-methylphenyl)pyridin-1-ium is sourced from PubChem (CID 123794284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).