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

C27H32FN — CID 19858622

IUPAC2-(2-fluoro-4-heptylphenyl)-5-(4-propylphenyl)pyridine
SMILESCCCCCCCc1ccc(-c2ccc(-c3ccc(CCC)cc3)cn2)c(F)c1
InChIInChI=1S/C27H32FN/c1-3-5-6-7-8-10-22-13-17-25(26(28)19-22)27-18-16-24(20-29-27)23-14-11-21(9-4-2)12-15-23/h11-20H,3-10H2,1-2H3
InChIKeyXCUMSBJEYMXFMX-UHFFFAOYSA-N
MW389.56 g/mol
LogP8.02
Rot. Bonds10

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

2-(2-fluoro-4-heptylphenyl)-5-(4-propylphenyl)pyridine (PubChem CID 19858622) has the molecular formula C27H32FN and a molecular weight of 389.56 g/mol. Its IUPAC name is 2-(2-fluoro-4-heptylphenyl)-5-(4-propylphenyl)pyridine.

Molecular Properties

Compound Name2-(2-fluoro-4-heptylphenyl)-5-(4-propylphenyl)pyridine
PubChem CID19858622
Molecular FormulaC27H32FN
Molecular Weight389.56 g/mol
Exact Mass389.25
IUPAC Name2-(2-fluoro-4-heptylphenyl)-5-(4-propylphenyl)pyridine
SMILESCCCCCCCc1ccc(-c2ccc(-c3ccc(CCC)cc3)cn2)c(F)c1
InChIInChI=1S/C27H32FN/c1-3-5-6-7-8-10-22-13-17-25(26(28)19-22)27-18-16-24(20-29-27)23-14-11-21(9-4-2)12-15-23/h11-20H,3-10H2,1-2H3
InChIKeyXCUMSBJEYMXFMX-UHFFFAOYSA-N
XLogP8.02
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.56
LogP ≤ 58.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-fluoro-4-octylphenyl)-5-(4-hexylphenyl)pyridine
CID 19859819
2-(2-fluoro-4-heptylphenyl)-5-(4-octylphenyl)pyridine
CID 19859811
2-(2-fluoro-4-octylphenyl)-5-(4-octoxyphenyl)pyridine
CID 19859795
2-(2-fluoro-4-hexylphenyl)-5-(4-nonoxyphenyl)pyridine
CID 19859636
2-[4-(2-fluoro-4-propylphenyl)phenyl]-5-pentylpyridine
CID 19859704
2-[4-(2-fluoro-4-pentylphenyl)phenyl]-5-heptylpyridine
CID 19859898
5-[4-(4-butyl-2-fluorophenyl)phenyl]-2-heptylpyridine
CID 19859113
2,5-bis(4-octylphenyl)pyridine
CID 139839621
2-fluoro-5-(2-fluoro-4-heptylphenyl)pyridine
CID 19765344
2-fluoro-1-(4-heptylphenyl)-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19906944
3-fluoro-4-(5-heptyl-2-pyridinyl)phenol
CID 139691046
2-(2-fluoro-4-methylphenyl)-5-pentylpyridine
CID 19101131

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-heptylphenyl)-5-(4-propylphenyl)pyridine?
The IUPAC name of 2-(2-fluoro-4-heptylphenyl)-5-(4-propylphenyl)pyridine (CID 19858622) is 2-(2-fluoro-4-heptylphenyl)-5-(4-propylphenyl)pyridine.
What is the SMILES notation for 2-(2-fluoro-4-heptylphenyl)-5-(4-propylphenyl)pyridine?
The canonical SMILES for 2-(2-fluoro-4-heptylphenyl)-5-(4-propylphenyl)pyridine is CCCCCCCc1ccc(-c2ccc(-c3ccc(CCC)cc3)cn2)c(F)c1.
What is the InChIKey of 2-(2-fluoro-4-heptylphenyl)-5-(4-propylphenyl)pyridine?
The InChIKey is XCUMSBJEYMXFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32FN/c1-3-5-6-7-8-10-22-13-17-25(26(28)19-22)27-18-16-24(20-29-27)23-14-11-21(9-4-2)12-15-23/h11-20H,3-10H2,1-2H3.
What are the key properties of 2-(2-fluoro-4-heptylphenyl)-5-(4-propylphenyl)pyridine?
2-(2-fluoro-4-heptylphenyl)-5-(4-propylphenyl)pyridine has a molecular weight of 389.56 g/mol, XLogP of 8.02, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-heptylphenyl)-5-(4-propylphenyl)pyridine is sourced from PubChem (CID 19858622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).