4-[[5,6-dimethyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)-3H-inden-1-yl]methyl]-2,3,5,6-tetrafluoropyridine

C22H12F8N2 — CID 139120034

IUPAC4-[[5,6-dimethyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)-3H-inden-1-yl]methyl]-2,3,5,6-tetrafluoropyridine
SMILESCc1cc2c(cc1C)C(Cc1c(F)c(F)nc(F)c1F)=C(c1c(F)c(F)nc(F)c1F)C2
InChIInChI=1S/C22H12F8N2/c1-7-3-9-5-12(14-17(25)21(29)32-22(30)18(14)26)11(10(9)4-8(7)2)6-13-15(23)19(27)31-20(28)16(13)24/h3-4H,5-6H2,1-2H3
InChIKeyFZIQUUJBAYMBJV-UHFFFAOYSA-N
MW456.34 g/mol
LogP5.92
Rot. Bonds3

About 4-[[5,6-dimethyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)-3H-inden-1-yl]methyl]-2,3,5,6-tetrafluoropyridine

4-[[5,6-dimethyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)-3H-inden-1-yl]methyl]-2,3,5,6-tetrafluoropyridine (PubChem CID 139120034) has the molecular formula C22H12F8N2 and a molecular weight of 456.34 g/mol. Its IUPAC name is 4-[[5,6-dimethyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)-3H-inden-1-yl]methyl]-2,3,5,6-tetrafluoropyridine.

Molecular Properties

Compound Name4-[[5,6-dimethyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)-3H-inden-1-yl]methyl]-2,3,5,6-tetrafluoropyridine
PubChem CID139120034
Molecular FormulaC22H12F8N2
Molecular Weight456.34 g/mol
Exact Mass456.09
IUPAC Name4-[[5,6-dimethyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)-3H-inden-1-yl]methyl]-2,3,5,6-tetrafluoropyridine
SMILESCc1cc2c(cc1C)C(Cc1c(F)c(F)nc(F)c1F)=C(c1c(F)c(F)nc(F)c1F)C2
InChIInChI=1S/C22H12F8N2/c1-7-3-9-5-12(14-17(25)21(29)32-22(30)18(14)26)11(10(9)4-8(7)2)6-13-15(23)19(27)31-20(28)16(13)24/h3-4H,5-6H2,1-2H3
InChIKeyFZIQUUJBAYMBJV-UHFFFAOYSA-N
XLogP5.92
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.34
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,3,5,6-Tetrafluoro-4-(4-methylphenyl)pyridine
CID 11715682
Fluoropyridyl-biphenyl
CID 100973189
2,3,5,6-tetrafluoro-4-(4-(Trifluoromethyl)phenyl)pyridine
CID 118854482
2,3,5,6-Tetrafluoro-4-(1-phenylethyl)pyridine
CID 141400644
2,3,5,6-Tetrafluoro-4-[2-[4-[2-(2,3,5,6-tetrafluoro-4-pyridinyl)ethynyl]phenyl]ethynyl]pyridine
CID 85997500
4,4'-Difluorodiphenyl-2,6-difluoropyridine
CID 129721696
4-[4-[2,6-Bis(trifluoromethyl)-4-pyridinyl]phenyl]-2,6-bis(trifluoromethyl)pyridine
CID 132551111
4-[3-[2,6-Bis(trifluoromethyl)-4-pyridinyl]-5-methylphenyl]-2,6-bis(trifluoromethyl)pyridine
CID 132551113
2,4,6-Trifluoro-3,5-diphenylpyridine
CID 138963207
2,3,5,6-Tetrafluoro-4-[7'-(2,3,5,6-tetrafluoro-4-pyridinyl)-9,9'-spirobi[fluorene]-2'-yl]pyridine
CID 139183203
4-[1-Ethyl-1-methyl-3,4-diphenyl-5-(2,3,5,6-tetrafluoro-4-pyridinyl)silol-2-yl]-2,3,5,6-tetrafluoropyridine
CID 18792507
2,6-Difluoro-3-[4-(4-propylphenyl)phenyl]pyridine
CID 19765339

Frequently Asked Questions

What is the IUPAC name of 4-[[5,6-dimethyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)-3H-inden-1-yl]methyl]-2,3,5,6-tetrafluoropyridine?
The IUPAC name of 4-[[5,6-dimethyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)-3H-inden-1-yl]methyl]-2,3,5,6-tetrafluoropyridine (CID 139120034) is 4-[[5,6-dimethyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)-3H-inden-1-yl]methyl]-2,3,5,6-tetrafluoropyridine.
What is the SMILES notation for 4-[[5,6-dimethyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)-3H-inden-1-yl]methyl]-2,3,5,6-tetrafluoropyridine?
The canonical SMILES for 4-[[5,6-dimethyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)-3H-inden-1-yl]methyl]-2,3,5,6-tetrafluoropyridine is Cc1cc2c(cc1C)C(Cc1c(F)c(F)nc(F)c1F)=C(c1c(F)c(F)nc(F)c1F)C2.
What is the InChIKey of 4-[[5,6-dimethyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)-3H-inden-1-yl]methyl]-2,3,5,6-tetrafluoropyridine?
The InChIKey is FZIQUUJBAYMBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12F8N2/c1-7-3-9-5-12(14-17(25)21(29)32-22(30)18(14)26)11(10(9)4-8(7)2)6-13-15(23)19(27)31-20(28)16(13)24/h3-4H,5-6H2,1-2H3.
What are the key properties of 4-[[5,6-dimethyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)-3H-inden-1-yl]methyl]-2,3,5,6-tetrafluoropyridine?
4-[[5,6-dimethyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)-3H-inden-1-yl]methyl]-2,3,5,6-tetrafluoropyridine has a molecular weight of 456.34 g/mol, XLogP of 5.92, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5,6-dimethyl-2-(2,3,5,6-tetrafluoro-4-pyridinyl)-3H-inden-1-yl]methyl]-2,3,5,6-tetrafluoropyridine is sourced from PubChem (CID 139120034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).