2-(fluoromethyl)-6-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine

C21H26FN — CID 90076872

IUPAC2-(fluoromethyl)-6-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine
SMILESCC1(C)c2ccc(-c3cccc(CF)n3)cc2C(C)(C)C1(C)C
InChIInChI=1S/C21H26FN/c1-19(2)16-11-10-14(18-9-7-8-15(13-22)23-18)12-17(16)20(3,4)21(19,5)6/h7-12H,13H2,1-6H3
InChIKeyRXAIWAMBNUKOTH-UHFFFAOYSA-N
MW311.44 g/mol
LogP5.81
Rot. Bonds2

About 2-(fluoromethyl)-6-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine

2-(fluoromethyl)-6-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine (PubChem CID 90076872) has the molecular formula C21H26FN and a molecular weight of 311.44 g/mol. Its IUPAC name is 2-(fluoromethyl)-6-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine.

Molecular Properties

Compound Name2-(fluoromethyl)-6-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine
PubChem CID90076872
Molecular FormulaC21H26FN
Molecular Weight311.44 g/mol
Exact Mass311.20
IUPAC Name2-(fluoromethyl)-6-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine
SMILESCC1(C)c2ccc(-c3cccc(CF)n3)cc2C(C)(C)C1(C)C
InChIInChI=1S/C21H26FN/c1-19(2)16-11-10-14(18-9-7-8-15(13-22)23-18)12-17(16)20(3,4)21(19,5)6/h7-12H,13H2,1-6H3
InChIKeyRXAIWAMBNUKOTH-UHFFFAOYSA-N
XLogP5.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.44
LogP ≤ 55.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,6-Bis(p-tolyl)pyridine
CID 84435
2-Tert-butyl-4,6-diphenyl-pyridine
CID 3299044
9,9-Difluoro-1,3-dimethyl-4-(trifluoromethyl)indeno[2,1-c]pyridine
CID 812348
2,4-Diphenyl-5H-indeno[1,2-b]pyridine
CID 629249
4-(2-Fluorophenyl)-2,6-dimethylpyridine
CID 13958722
2-Butyl-6-phenylpyridine
CID 4614438
2,6-Bis[2-(4-methylphenyl)ethyl]pyridine
CID 71606713
2-Butyl-4-phenyl-3-propyl-6-(trifluoromethyl)pyridine
CID 10903333
2-Phenyl-4-(4-trifluoromethylphenyl)-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 11405038
2-[2-Decyl-4-(trifluoromethyl)phenyl]pyridine
CID 135059677
3-Methyl-1-phenyl-9H-indeno[2,1-c]pyridine
CID 620897
3-Methyl-4-azafluorene
CID 12943653

Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-6-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine?
The IUPAC name of 2-(fluoromethyl)-6-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine (CID 90076872) is 2-(fluoromethyl)-6-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine.
What is the SMILES notation for 2-(fluoromethyl)-6-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine?
The canonical SMILES for 2-(fluoromethyl)-6-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine is CC1(C)c2ccc(-c3cccc(CF)n3)cc2C(C)(C)C1(C)C.
What is the InChIKey of 2-(fluoromethyl)-6-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine?
The InChIKey is RXAIWAMBNUKOTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26FN/c1-19(2)16-11-10-14(18-9-7-8-15(13-22)23-18)12-17(16)20(3,4)21(19,5)6/h7-12H,13H2,1-6H3.
What are the key properties of 2-(fluoromethyl)-6-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine?
2-(fluoromethyl)-6-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine has a molecular weight of 311.44 g/mol, XLogP of 5.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-6-(1,1,2,2,3,3-hexamethylinden-5-yl)pyridine is sourced from PubChem (CID 90076872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).