2-fluoro-5-(2-fluoro-4-heptylphenyl)pyridine

C18H21F2N — CID 19765344

IUPAC2-fluoro-5-(2-fluoro-4-heptylphenyl)pyridine
SMILESCCCCCCCc1ccc(-c2ccc(F)nc2)c(F)c1
InChIInChI=1S/C18H21F2N/c1-2-3-4-5-6-7-14-8-10-16(17(19)12-14)15-9-11-18(20)21-13-15/h8-13H,2-7H2,1H3
InChIKeyVZHGOFPLFXGOAY-UHFFFAOYSA-N
MW289.37 g/mol
LogP5.54
Rot. Bonds7

About 2-fluoro-5-(2-fluoro-4-heptylphenyl)pyridine

2-fluoro-5-(2-fluoro-4-heptylphenyl)pyridine (PubChem CID 19765344) has the molecular formula C18H21F2N and a molecular weight of 289.37 g/mol. Its IUPAC name is 2-fluoro-5-(2-fluoro-4-heptylphenyl)pyridine.

Molecular Properties

Compound Name2-fluoro-5-(2-fluoro-4-heptylphenyl)pyridine
PubChem CID19765344
Molecular FormulaC18H21F2N
Molecular Weight289.37 g/mol
Exact Mass289.16
IUPAC Name2-fluoro-5-(2-fluoro-4-heptylphenyl)pyridine
SMILESCCCCCCCc1ccc(-c2ccc(F)nc2)c(F)c1
InChIInChI=1S/C18H21F2N/c1-2-3-4-5-6-7-14-8-10-16(17(19)12-14)15-9-11-18(20)21-13-15/h8-13H,2-7H2,1H3
InChIKeyVZHGOFPLFXGOAY-UHFFFAOYSA-N
XLogP5.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.37
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(4-butyl-2-fluorophenyl)phenyl]-2-fluoropyridine
CID 19765754
2-fluoro-1-(4-heptylphenyl)-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19906944
2-[4-(2-fluoro-4-heptylphenyl)phenyl]-5-hexylpyrimidine
CID 21270896
5-[4-(4-butyl-2-fluorophenyl)phenyl]-2-heptylpyridine
CID 19859113
2-[4-(2-fluoro-4-pentylphenyl)phenyl]-5-heptylpyridine
CID 19859898
2-(2-fluoro-4-octylphenyl)-5-(4-hexylphenyl)pyridine
CID 19859819
2-[4-(4-butyl-2-fluorophenyl)phenyl]-5-heptylpyrimidine
CID 21270877
2-(2-fluoro-4-heptylphenyl)-5-(4-octylphenyl)pyridine
CID 19859811
4-butyl-2-fluoro-1-[4-[2-(4-pentylphenyl)ethyl]phenyl]benzene
CID 19906913
2-(2-fluoro-4-heptylphenyl)-5-(4-propylphenyl)pyridine
CID 19858622
2,4-difluoro-1-(4-octylphenyl)benzene
CID 56633566
5-[3-fluoro-4-(4-heptylphenyl)phenyl]-2-octylpyridine
CID 19859567

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(2-fluoro-4-heptylphenyl)pyridine?
The IUPAC name of 2-fluoro-5-(2-fluoro-4-heptylphenyl)pyridine (CID 19765344) is 2-fluoro-5-(2-fluoro-4-heptylphenyl)pyridine.
What is the SMILES notation for 2-fluoro-5-(2-fluoro-4-heptylphenyl)pyridine?
The canonical SMILES for 2-fluoro-5-(2-fluoro-4-heptylphenyl)pyridine is CCCCCCCc1ccc(-c2ccc(F)nc2)c(F)c1.
What is the InChIKey of 2-fluoro-5-(2-fluoro-4-heptylphenyl)pyridine?
The InChIKey is VZHGOFPLFXGOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N/c1-2-3-4-5-6-7-14-8-10-16(17(19)12-14)15-9-11-18(20)21-13-15/h8-13H,2-7H2,1H3.
What are the key properties of 2-fluoro-5-(2-fluoro-4-heptylphenyl)pyridine?
2-fluoro-5-(2-fluoro-4-heptylphenyl)pyridine has a molecular weight of 289.37 g/mol, XLogP of 5.54, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(2-fluoro-4-heptylphenyl)pyridine is sourced from PubChem (CID 19765344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).