1-(2-fluoro-1-methylpyridin-1-ium-3-yl)ethanone

C8H9FNO+ — CID 10518519

IUPAC1-(2-fluoro-1-methylpyridin-1-ium-3-yl)ethanone
SMILESCC(=O)c1ccc[n+](C)c1F
InChIInChI=1S/C8H9FNO/c1-6(11)7-4-3-5-10(2)8(7)9/h3-5H,1-2H3/q+1
InChIKeyHQOSQLYLYHVOMT-UHFFFAOYSA-N
MW154.16 g/mol
LogP0.85
Rot. Bonds1

About 1-(2-fluoro-1-methylpyridin-1-ium-3-yl)ethanone

1-(2-fluoro-1-methylpyridin-1-ium-3-yl)ethanone (PubChem CID 10518519) has the molecular formula C8H9FNO+ and a molecular weight of 154.16 g/mol. Its IUPAC name is 1-(2-fluoro-1-methylpyridin-1-ium-3-yl)ethanone.

Molecular Properties

Compound Name1-(2-fluoro-1-methylpyridin-1-ium-3-yl)ethanone
PubChem CID10518519
Molecular FormulaC8H9FNO+
Molecular Weight154.16 g/mol
Exact Mass154.07
IUPAC Name1-(2-fluoro-1-methylpyridin-1-ium-3-yl)ethanone
SMILESCC(=O)c1ccc[n+](C)c1F
InChIInChI=1S/C8H9FNO/c1-6(11)7-4-3-5-10(2)8(7)9/h3-5H,1-2H3/q+1
InChIKeyHQOSQLYLYHVOMT-UHFFFAOYSA-N
XLogP0.85
TPSA20.95 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.16
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-fluoro-1-methylpyridin-1-ium-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2-acetylphenyl)ethanone;methane
CID 158210616
3-acetyl-2-fluorobenzoic acid
CID 83410719
1-(4-fluoro-2-methylphenyl)ethanone
CID 3494772
1-[2-(4-fluorophenoxy)phenyl]ethanone
CID 10633209
bis(1-(2-hydroxyphenyl)ethanone);zirconium
CID 87865139
cerium;1-(2-hydroxyphenyl)ethanone
CID 174280590
acetaldehyde;1-(2-acetylphenyl)ethanone
CID 159210458
1-methylquinolin-1-ium acetate
CID 22998708
1-[2-(4-fluoro-2-methylphenyl)phenyl]ethanone
CID 54912608
ethane;1-(2-methylphenyl)ethanone
CID 91374073
1-(2-fluoro-3,6-dimethylphenyl)ethanone
CID 84765074
1-(2-chlorophenyl)ethanone;hydrochloride
CID 174743581

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-1-methylpyridin-1-ium-3-yl)ethanone?
The IUPAC name of 1-(2-fluoro-1-methylpyridin-1-ium-3-yl)ethanone (CID 10518519) is 1-(2-fluoro-1-methylpyridin-1-ium-3-yl)ethanone.
What is the SMILES notation for 1-(2-fluoro-1-methylpyridin-1-ium-3-yl)ethanone?
The canonical SMILES for 1-(2-fluoro-1-methylpyridin-1-ium-3-yl)ethanone is CC(=O)c1ccc[n+](C)c1F.
What is the InChIKey of 1-(2-fluoro-1-methylpyridin-1-ium-3-yl)ethanone?
The InChIKey is HQOSQLYLYHVOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FNO/c1-6(11)7-4-3-5-10(2)8(7)9/h3-5H,1-2H3/q+1.
What are the key properties of 1-(2-fluoro-1-methylpyridin-1-ium-3-yl)ethanone?
1-(2-fluoro-1-methylpyridin-1-ium-3-yl)ethanone has a molecular weight of 154.16 g/mol, XLogP of 0.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-1-methylpyridin-1-ium-3-yl)ethanone is sourced from PubChem (CID 10518519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).