2,4-difluoro-1-methylpyridin-1-ium

C6H6F2N+ — CID 169211033

IUPAC2,4-difluoro-1-methylpyridin-1-ium
SMILESC[n+]1ccc(F)cc1F
InChIInChI=1S/C6H6F2N/c1-9-3-2-5(7)4-6(9)8/h2-4H,1H3/q+1
InChIKeyJZCZGWPJUBCGSB-UHFFFAOYSA-N
MW130.12 g/mol
LogP0.79
Rot. Bonds

About 2,4-difluoro-1-methylpyridin-1-ium

2,4-difluoro-1-methylpyridin-1-ium (PubChem CID 169211033) has the molecular formula C6H6F2N+ and a molecular weight of 130.12 g/mol. Its IUPAC name is 2,4-difluoro-1-methylpyridin-1-ium.

Molecular Properties

Compound Name2,4-difluoro-1-methylpyridin-1-ium
PubChem CID169211033
Molecular FormulaC6H6F2N+
Molecular Weight130.12 g/mol
Exact Mass130.05
IUPAC Name2,4-difluoro-1-methylpyridin-1-ium
SMILESC[n+]1ccc(F)cc1F
InChIInChI=1S/C6H6F2N/c1-9-3-2-5(7)4-6(9)8/h2-4H,1H3/q+1
InChIKeyJZCZGWPJUBCGSB-UHFFFAOYSA-N
XLogP0.79
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.12
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

N-[(2-fluoro-1-methylpyridin-1-ium-4-yl)methylidene]hydroxylamine
CID 136746111
ethane;1-ethyl-2,4-difluoropyridin-1-ium
CID 169211117
4-anthracen-9-yl-2-fluoro-1-methylpyridin-1-ium;ethane
CID 153340780
4-(10-bromoanthracen-9-yl)-2-fluoro-1-methylpyridin-1-ium iodide
CID 154926382
4-fluoro-2-methyl-1-oxidopyridin-1-ium
CID 19898980
acetaldehyde;1,3-difluorobenzene
CID 160854263
1,3-difluorobenzene;methanol
CID 144994633
1,2,4-trimethylpyridin-1-ium iodide
CID 12543163
3-fluoro-7,7,8,8-tetramethylbicyclo[4.2.0]octa-1(6),2,4-triene
CID 167326908
1-(4-fluoro-2-methylphenyl)ethanone
CID 3494772
3-amino-1-(4-fluoro-2-methylphenyl)-2-methylbutan-1-one
CID 116612404
1-methyl-2-methylsulfanylpyridin-1-ium-4-carboxylic acid iodide
CID 12574018

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-1-methylpyridin-1-ium?
The IUPAC name of 2,4-difluoro-1-methylpyridin-1-ium (CID 169211033) is 2,4-difluoro-1-methylpyridin-1-ium.
What is the SMILES notation for 2,4-difluoro-1-methylpyridin-1-ium?
The canonical SMILES for 2,4-difluoro-1-methylpyridin-1-ium is C[n+]1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-1-methylpyridin-1-ium?
The InChIKey is JZCZGWPJUBCGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N/c1-9-3-2-5(7)4-6(9)8/h2-4H,1H3/q+1.
What are the key properties of 2,4-difluoro-1-methylpyridin-1-ium?
2,4-difluoro-1-methylpyridin-1-ium has a molecular weight of 130.12 g/mol, XLogP of 0.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-1-methylpyridin-1-ium is sourced from PubChem (CID 169211033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).