6-[2-(2,4-difluoro-6-methylphenyl)pyridin-1-ium-1-yl]-8,10-difluoro-6H-pyrido[2,1-a]isoindol-5-ium

C24H16F4N2+2 — CID 91201362

IUPAC6-[2-(2,4-difluoro-6-methylphenyl)pyridin-1-ium-1-yl]-8,10-difluoro-6H-pyrido[2,1-a]isoindol-5-ium
SMILESCc1cc(F)cc(F)c1-c1cccc[n+]1C1c2cc(F)cc(F)c2-c2cccc[n+]21
InChIInChI=1S/C24H16F4N2/c1-14-10-15(25)12-18(27)22(14)20-6-2-4-8-29(20)24-17-11-16(26)13-19(28)23(17)21-7-3-5-9-30(21)24/h2-13,24H,1H3/q+2
InChIKeyUIWGMRGALUBMHY-UHFFFAOYSA-N
MW408.40 g/mol
LogP4.87
Rot. Bonds2

About 6-[2-(2,4-difluoro-6-methylphenyl)pyridin-1-ium-1-yl]-8,10-difluoro-6H-pyrido[2,1-a]isoindol-5-ium

6-[2-(2,4-difluoro-6-methylphenyl)pyridin-1-ium-1-yl]-8,10-difluoro-6H-pyrido[2,1-a]isoindol-5-ium (PubChem CID 91201362) has the molecular formula C24H16F4N2+2 and a molecular weight of 408.40 g/mol. Its IUPAC name is 6-[2-(2,4-difluoro-6-methylphenyl)pyridin-1-ium-1-yl]-8,10-difluoro-6H-pyrido[2,1-a]isoindol-5-ium.

Molecular Properties

Compound Name6-[2-(2,4-difluoro-6-methylphenyl)pyridin-1-ium-1-yl]-8,10-difluoro-6H-pyrido[2,1-a]isoindol-5-ium
PubChem CID91201362
Molecular FormulaC24H16F4N2+2
Molecular Weight408.40 g/mol
Exact Mass408.12
IUPAC Name6-[2-(2,4-difluoro-6-methylphenyl)pyridin-1-ium-1-yl]-8,10-difluoro-6H-pyrido[2,1-a]isoindol-5-ium
SMILESCc1cc(F)cc(F)c1-c1cccc[n+]1C1c2cc(F)cc(F)c2-c2cccc[n+]21
InChIInChI=1S/C24H16F4N2/c1-14-10-15(25)12-18(27)22(14)20-6-2-4-8-29(20)24-17-11-16(26)13-19(28)23(17)21-7-3-5-9-30(21)24/h2-13,24H,1H3/q+2
InChIKeyUIWGMRGALUBMHY-UHFFFAOYSA-N
XLogP4.87
TPSA7.76 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.40
LogP ≤ 54.87
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-(2,4-difluoro-6-methylphenyl)-1-methylpyridin-1-ium;methane;1-methyl-2-(3-methyl-1-benzothiophen-2-yl)pyridin-1-ium
CID 160773137
2-(2-fluoro-6-methylphenyl)-1-methylpyridin-1-ium
CID 140800379
2-(2,4-difluoro-6-methylphenyl)-1-(2,6-dimethylphenyl)benzimidazole
CID 170293570
9-fluoro-6-[5-fluoro-3-methyl-2-(1-methylpyridin-1-ium-2-yl)phenyl]-11-methylbenzo[a]quinolizin-5-ium
CID 123758344
2,4,7-trifluoro-5-methylfluorene-9-thione
CID 19874672
2,4-difluoro-6-methylbenzoic acid
CID 119005612
2,4-difluoro-1-methylbenzene;hydrobromide
CID 174767043
6,7-dimethyl-2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline
CID 71729476
2-(2,4-difluoro-6-methylphenyl)-1-(2,6-dimethylphenyl)imidazole
CID 163593022
(4-fluoro-2,6-dimethylphenyl)-(2-fluorophenyl)methanone
CID 106876756
(1S)-2,19-diazoniapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaene
CID 58321386
5-fluoro-2-(4-fluoro-2,6-dimethylphenyl)aniline
CID 107627301

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,4-difluoro-6-methylphenyl)pyridin-1-ium-1-yl]-8,10-difluoro-6H-pyrido[2,1-a]isoindol-5-ium?
The IUPAC name of 6-[2-(2,4-difluoro-6-methylphenyl)pyridin-1-ium-1-yl]-8,10-difluoro-6H-pyrido[2,1-a]isoindol-5-ium (CID 91201362) is 6-[2-(2,4-difluoro-6-methylphenyl)pyridin-1-ium-1-yl]-8,10-difluoro-6H-pyrido[2,1-a]isoindol-5-ium.
What is the SMILES notation for 6-[2-(2,4-difluoro-6-methylphenyl)pyridin-1-ium-1-yl]-8,10-difluoro-6H-pyrido[2,1-a]isoindol-5-ium?
The canonical SMILES for 6-[2-(2,4-difluoro-6-methylphenyl)pyridin-1-ium-1-yl]-8,10-difluoro-6H-pyrido[2,1-a]isoindol-5-ium is Cc1cc(F)cc(F)c1-c1cccc[n+]1C1c2cc(F)cc(F)c2-c2cccc[n+]21.
What is the InChIKey of 6-[2-(2,4-difluoro-6-methylphenyl)pyridin-1-ium-1-yl]-8,10-difluoro-6H-pyrido[2,1-a]isoindol-5-ium?
The InChIKey is UIWGMRGALUBMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F4N2/c1-14-10-15(25)12-18(27)22(14)20-6-2-4-8-29(20)24-17-11-16(26)13-19(28)23(17)21-7-3-5-9-30(21)24/h2-13,24H,1H3/q+2.
What are the key properties of 6-[2-(2,4-difluoro-6-methylphenyl)pyridin-1-ium-1-yl]-8,10-difluoro-6H-pyrido[2,1-a]isoindol-5-ium?
6-[2-(2,4-difluoro-6-methylphenyl)pyridin-1-ium-1-yl]-8,10-difluoro-6H-pyrido[2,1-a]isoindol-5-ium has a molecular weight of 408.40 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(2,4-difluoro-6-methylphenyl)pyridin-1-ium-1-yl]-8,10-difluoro-6H-pyrido[2,1-a]isoindol-5-ium is sourced from PubChem (CID 91201362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).