2-[4-(2-fluoro-4-propylphenyl)phenyl]-5-pentylpyridine

C25H28FN — CID 19859704

IUPAC2-[4-(2-fluoro-4-propylphenyl)phenyl]-5-pentylpyridine
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(CCC)cc3F)cc2)nc1
InChIInChI=1S/C25H28FN/c1-3-5-6-8-20-10-16-25(27-18-20)22-13-11-21(12-14-22)23-15-9-19(7-4-2)17-24(23)26/h9-18H,3-8H2,1-2H3
InChIKeyGICAQCRCKQYGRP-UHFFFAOYSA-N
MW361.50 g/mol
LogP7.24
Rot. Bonds8

About 2-[4-(2-fluoro-4-propylphenyl)phenyl]-5-pentylpyridine

2-[4-(2-fluoro-4-propylphenyl)phenyl]-5-pentylpyridine (PubChem CID 19859704) has the molecular formula C25H28FN and a molecular weight of 361.50 g/mol. Its IUPAC name is 2-[4-(2-fluoro-4-propylphenyl)phenyl]-5-pentylpyridine.

Molecular Properties

Compound Name2-[4-(2-fluoro-4-propylphenyl)phenyl]-5-pentylpyridine
PubChem CID19859704
Molecular FormulaC25H28FN
Molecular Weight361.50 g/mol
Exact Mass361.22
IUPAC Name2-[4-(2-fluoro-4-propylphenyl)phenyl]-5-pentylpyridine
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(CCC)cc3F)cc2)nc1
InChIInChI=1S/C25H28FN/c1-3-5-6-8-20-10-16-25(27-18-20)22-13-11-21(12-14-22)23-15-9-19(7-4-2)17-24(23)26/h9-18H,3-8H2,1-2H3
InChIKeyGICAQCRCKQYGRP-UHFFFAOYSA-N
XLogP7.24
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.50
LogP ≤ 57.24
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-[4-(2-fluoro-4-pentylphenyl)phenyl]-5-heptylpyridine
CID 19859898
2-[4-(2-fluoro-4-heptoxyphenyl)phenyl]-5-pentylpyridine;2-[4-(2-fluoro-4-pentylphenyl)phenyl]-5-hexylpyridine
CID 158808358
2-[4-(2-fluoro-4-hexoxyphenyl)phenyl]-5-pentylpyridine
CID 19859496
2-[4-(2-fluoro-4-hexoxyphenyl)phenyl]-5-propylpyridine
CID 19859168
2-(2-fluoro-4-heptylphenyl)-5-(4-propylphenyl)pyridine
CID 19858622
2-[4-(2-fluoro-4-heptylphenyl)phenyl]-5-hexylpyrimidine
CID 21270896
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
2-fluoro-4-[3-fluoro-4-(4-pentylphenyl)phenyl]-1-(4-propylphenyl)benzene
CID 59547087
4-butyl-2-fluoro-1-[4-[2-(4-pentylphenyl)ethyl]phenyl]benzene
CID 19906913
2-fluoro-1-(4-heptylphenyl)-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19906944

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-fluoro-4-propylphenyl)phenyl]-5-pentylpyridine?
The IUPAC name of 2-[4-(2-fluoro-4-propylphenyl)phenyl]-5-pentylpyridine (CID 19859704) is 2-[4-(2-fluoro-4-propylphenyl)phenyl]-5-pentylpyridine.
What is the SMILES notation for 2-[4-(2-fluoro-4-propylphenyl)phenyl]-5-pentylpyridine?
The canonical SMILES for 2-[4-(2-fluoro-4-propylphenyl)phenyl]-5-pentylpyridine is CCCCCc1ccc(-c2ccc(-c3ccc(CCC)cc3F)cc2)nc1.
What is the InChIKey of 2-[4-(2-fluoro-4-propylphenyl)phenyl]-5-pentylpyridine?
The InChIKey is GICAQCRCKQYGRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN/c1-3-5-6-8-20-10-16-25(27-18-20)22-13-11-21(12-14-22)23-15-9-19(7-4-2)17-24(23)26/h9-18H,3-8H2,1-2H3.
What are the key properties of 2-[4-(2-fluoro-4-propylphenyl)phenyl]-5-pentylpyridine?
2-[4-(2-fluoro-4-propylphenyl)phenyl]-5-pentylpyridine has a molecular weight of 361.50 g/mol, XLogP of 7.24, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-fluoro-4-propylphenyl)phenyl]-5-pentylpyridine is sourced from PubChem (CID 19859704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).