4-[(2-fluorophenyl)methyl]-1-methylpyridin-1-ium

C13H13FN+ — CID 71463436

IUPAC4-[(2-fluorophenyl)methyl]-1-methylpyridin-1-ium
SMILESC[n+]1ccc(Cc2ccccc2F)cc1
InChIInChI=1S/C13H13FN/c1-15-8-6-11(7-9-15)10-12-4-2-3-5-13(12)14/h2-9H,10H2,1H3/q+1
InChIKeyHGULTADPYDRXLM-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.24
Rot. Bonds2

About 4-[(2-fluorophenyl)methyl]-1-methylpyridin-1-ium

4-[(2-fluorophenyl)methyl]-1-methylpyridin-1-ium (PubChem CID 71463436) has the molecular formula C13H13FN+ and a molecular weight of 202.25 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl]-1-methylpyridin-1-ium.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl]-1-methylpyridin-1-ium
PubChem CID71463436
Molecular FormulaC13H13FN+
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name4-[(2-fluorophenyl)methyl]-1-methylpyridin-1-ium
SMILESC[n+]1ccc(Cc2ccccc2F)cc1
InChIInChI=1S/C13H13FN/c1-15-8-6-11(7-9-15)10-12-4-2-3-5-13(12)14/h2-9H,10H2,1H3/q+1
InChIKeyHGULTADPYDRXLM-UHFFFAOYSA-N
XLogP2.24
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.24
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

4-[(2-fluorophenyl)methyl]pyridine
CID 23294432
1-fluoro-2-[(4-methoxyphenyl)methyl]benzene
CID 57312860
4-[[3,5-bis[(1-methylpyridin-1-ium-4-yl)methyl]phenyl]methyl]-1-methylpyridin-1-ium
CID 58964020
4-[(2-fluorophenyl)methyl]-N-prop-1-en-2-ylaniline
CID 129135425
4-[(2-fluorophenyl)methyl]-2-methylaniline
CID 134448573
2-fluoro-4-[(2-fluorophenyl)methyl]-1-propan-2-ylbenzene
CID 155367036
azane;1-ethyl-2-fluorobenzene
CID 66657049
2-[(2-fluorophenyl)methyl]aniline
CID 21497428
4-[(2-fluorophenyl)methyl]-1H-pyrazole;hydrochloride
CID 167516371
N'-[2-(2-fluorophenyl)ethyl]-N-methylmethanediamine
CID 115227243
ethane;(2-fluorophenyl)methylhydrazine
CID 142817687
4-[(2-fluorophenyl)methyl]-N-methyl-2-(3-methylbutan-2-yl)aniline
CID 142307020

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl]-1-methylpyridin-1-ium?
The IUPAC name of 4-[(2-fluorophenyl)methyl]-1-methylpyridin-1-ium (CID 71463436) is 4-[(2-fluorophenyl)methyl]-1-methylpyridin-1-ium.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl]-1-methylpyridin-1-ium?
The canonical SMILES for 4-[(2-fluorophenyl)methyl]-1-methylpyridin-1-ium is C[n+]1ccc(Cc2ccccc2F)cc1.
What is the InChIKey of 4-[(2-fluorophenyl)methyl]-1-methylpyridin-1-ium?
The InChIKey is HGULTADPYDRXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN/c1-15-8-6-11(7-9-15)10-12-4-2-3-5-13(12)14/h2-9H,10H2,1H3/q+1.
What are the key properties of 4-[(2-fluorophenyl)methyl]-1-methylpyridin-1-ium?
4-[(2-fluorophenyl)methyl]-1-methylpyridin-1-ium has a molecular weight of 202.25 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl]-1-methylpyridin-1-ium is sourced from PubChem (CID 71463436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).