5-[4-(4-butyl-2-fluorophenyl)phenyl]-2-fluoropyridine

C21H19F2N — CID 19765754

IUPAC5-[4-(4-butyl-2-fluorophenyl)phenyl]-2-fluoropyridine
SMILESCCCCc1ccc(-c2ccc(-c3ccc(F)nc3)cc2)c(F)c1
InChIInChI=1S/C21H19F2N/c1-2-3-4-15-5-11-19(20(22)13-15)17-8-6-16(7-9-17)18-10-12-21(23)24-14-18/h5-14H,2-4H2,1H3
InChIKeyZBZIQTQQKXZLOH-UHFFFAOYSA-N
MW323.39 g/mol
LogP6.04
Rot. Bonds5

About 5-[4-(4-butyl-2-fluorophenyl)phenyl]-2-fluoropyridine

5-[4-(4-butyl-2-fluorophenyl)phenyl]-2-fluoropyridine (PubChem CID 19765754) has the molecular formula C21H19F2N and a molecular weight of 323.39 g/mol. Its IUPAC name is 5-[4-(4-butyl-2-fluorophenyl)phenyl]-2-fluoropyridine.

Molecular Properties

Compound Name5-[4-(4-butyl-2-fluorophenyl)phenyl]-2-fluoropyridine
PubChem CID19765754
Molecular FormulaC21H19F2N
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name5-[4-(4-butyl-2-fluorophenyl)phenyl]-2-fluoropyridine
SMILESCCCCc1ccc(-c2ccc(-c3ccc(F)nc3)cc2)c(F)c1
InChIInChI=1S/C21H19F2N/c1-2-3-4-15-5-11-19(20(22)13-15)17-8-6-16(7-9-17)18-10-12-21(23)24-14-18/h5-14H,2-4H2,1H3
InChIKeyZBZIQTQQKXZLOH-UHFFFAOYSA-N
XLogP6.04
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.39
LogP ≤ 56.04
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

2-fluoro-5-(2-fluoro-4-heptylphenyl)pyridine
CID 19765344
5-[4-(4-butyl-2-fluorophenyl)phenyl]-2-heptylpyridine
CID 19859113
4-butyl-2-fluoro-1-[4-[2-(4-pentylphenyl)ethyl]phenyl]benzene
CID 19906913
2-[4-(4-butyl-2-fluorophenyl)phenyl]-5-heptylpyrimidine
CID 21270877
2-(2-fluoro-4-octylphenyl)-5-(4-hexylphenyl)pyridine
CID 19859819
2-(2-fluoro-4-heptylphenyl)-5-(4-octylphenyl)pyridine
CID 19859811
2-[4-(2-fluoro-4-heptylphenyl)phenyl]-5-hexylpyrimidine
CID 21270896
2-(2-fluoro-4-heptylphenyl)-5-(4-propylphenyl)pyridine
CID 19858622
2-butyl-5-[3-fluoro-4-(4-heptylphenyl)phenyl]pyridine
CID 19859850
2-fluoro-1-(4-heptylphenyl)-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19906944
2-[4-(2-fluoro-4-pentylphenyl)phenyl]-5-heptylpyridine
CID 19859898
1-(4-butylphenyl)-4-(4-ethylphenyl)-2-fluorobenzene;4-(4-ethylphenyl)-2-fluoro-1-(4-propylphenyl)benzene
CID 161123973

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-butyl-2-fluorophenyl)phenyl]-2-fluoropyridine?
The IUPAC name of 5-[4-(4-butyl-2-fluorophenyl)phenyl]-2-fluoropyridine (CID 19765754) is 5-[4-(4-butyl-2-fluorophenyl)phenyl]-2-fluoropyridine.
What is the SMILES notation for 5-[4-(4-butyl-2-fluorophenyl)phenyl]-2-fluoropyridine?
The canonical SMILES for 5-[4-(4-butyl-2-fluorophenyl)phenyl]-2-fluoropyridine is CCCCc1ccc(-c2ccc(-c3ccc(F)nc3)cc2)c(F)c1.
What is the InChIKey of 5-[4-(4-butyl-2-fluorophenyl)phenyl]-2-fluoropyridine?
The InChIKey is ZBZIQTQQKXZLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N/c1-2-3-4-15-5-11-19(20(22)13-15)17-8-6-16(7-9-17)18-10-12-21(23)24-14-18/h5-14H,2-4H2,1H3.
What are the key properties of 5-[4-(4-butyl-2-fluorophenyl)phenyl]-2-fluoropyridine?
5-[4-(4-butyl-2-fluorophenyl)phenyl]-2-fluoropyridine has a molecular weight of 323.39 g/mol, XLogP of 6.04, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-butyl-2-fluorophenyl)phenyl]-2-fluoropyridine is sourced from PubChem (CID 19765754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).