2,3,5,6-tetrafluoro-4-(1-phenylethyl)pyridine

C13H9F4N — CID 141400644

IUPAC2,3,5,6-tetrafluoro-4-(1-phenylethyl)pyridine
SMILESCC(c1ccccc1)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C13H9F4N/c1-7(8-5-3-2-4-6-8)9-10(14)12(16)18-13(17)11(9)15/h2-7H,1H3
InChIKeyQFEWRJWWRCEFEL-UHFFFAOYSA-N
MW255.21 g/mol
LogP3.79
Rot. Bonds2

About 2,3,5,6-tetrafluoro-4-(1-phenylethyl)pyridine

2,3,5,6-tetrafluoro-4-(1-phenylethyl)pyridine (PubChem CID 141400644) has the molecular formula C13H9F4N and a molecular weight of 255.21 g/mol. Its IUPAC name is 2,3,5,6-tetrafluoro-4-(1-phenylethyl)pyridine.

Molecular Properties

Compound Name2,3,5,6-tetrafluoro-4-(1-phenylethyl)pyridine
PubChem CID141400644
Molecular FormulaC13H9F4N
Molecular Weight255.21 g/mol
Exact Mass255.07
IUPAC Name2,3,5,6-tetrafluoro-4-(1-phenylethyl)pyridine
SMILESCC(c1ccccc1)c1c(F)c(F)nc(F)c1F
InChIInChI=1S/C13H9F4N/c1-7(8-5-3-2-4-6-8)9-10(14)12(16)18-13(17)11(9)15/h2-7H,1H3
InChIKeyQFEWRJWWRCEFEL-UHFFFAOYSA-N
XLogP3.79
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.21
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ML318
CID 56604881
6-(Cyano(4-fluorophenyl)methyl)-3-methylpicolinonitrile (26)
CID 56604871
6-(Cyano(4-fluorophenyl)methyl)picolinonitrile (25)
CID 56851824
(2s)-(4-Fluorophenyl)[6-(Trifluoromethyl)pyridin-2-Yl]ethanenitrile
CID 74627698
3-Methyl-5-phenylpyridine
CID 598136
2-Methyl-6-phenylpyridine
CID 2762885
2,6-Dimethyl-4-phenylpyridine
CID 257972
1,3-Difluoroisoquinoline
CID 23213311
2,3,5,6-Tetrafluoro-4-(2-phenylethynyl)pyridine
CID 770053
2,3,5,6-Tetrafluoro-4-(perfluorophenyl)pyridine
CID 1799118
2,6-Bis(4-fluorophenyl)pyridine
CID 11391493
4-(2-Fluorophenyl)-2,6-dimethylpyridine
CID 13958722

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrafluoro-4-(1-phenylethyl)pyridine?
The IUPAC name of 2,3,5,6-tetrafluoro-4-(1-phenylethyl)pyridine (CID 141400644) is 2,3,5,6-tetrafluoro-4-(1-phenylethyl)pyridine.
What is the SMILES notation for 2,3,5,6-tetrafluoro-4-(1-phenylethyl)pyridine?
The canonical SMILES for 2,3,5,6-tetrafluoro-4-(1-phenylethyl)pyridine is CC(c1ccccc1)c1c(F)c(F)nc(F)c1F.
What is the InChIKey of 2,3,5,6-tetrafluoro-4-(1-phenylethyl)pyridine?
The InChIKey is QFEWRJWWRCEFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4N/c1-7(8-5-3-2-4-6-8)9-10(14)12(16)18-13(17)11(9)15/h2-7H,1H3.
What are the key properties of 2,3,5,6-tetrafluoro-4-(1-phenylethyl)pyridine?
2,3,5,6-tetrafluoro-4-(1-phenylethyl)pyridine has a molecular weight of 255.21 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrafluoro-4-(1-phenylethyl)pyridine is sourced from PubChem (CID 141400644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).