2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-pentylpyridine

C23H22F3NO — CID 58383763

IUPAC2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-pentylpyridine
SMILESCCCCCc1ccc(-c2ccc(-c3cc(F)c(OCF)c(F)c3)cc2)nc1
InChIInChI=1S/C23H22F3NO/c1-2-3-4-5-16-6-11-22(27-14-16)18-9-7-17(8-10-18)19-12-20(25)23(28-15-24)21(26)13-19/h6-14H,2-5,15H2,1H3
InChIKeyKISVHGMGWWIIGL-UHFFFAOYSA-N
MW385.43 g/mol
LogP6.73
Rot. Bonds8

About 2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-pentylpyridine

2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-pentylpyridine (PubChem CID 58383763) has the molecular formula C23H22F3NO and a molecular weight of 385.43 g/mol. Its IUPAC name is 2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-pentylpyridine.

Molecular Properties

Compound Name2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-pentylpyridine
PubChem CID58383763
Molecular FormulaC23H22F3NO
Molecular Weight385.43 g/mol
Exact Mass385.17
IUPAC Name2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-pentylpyridine
SMILESCCCCCc1ccc(-c2ccc(-c3cc(F)c(OCF)c(F)c3)cc2)nc1
InChIInChI=1S/C23H22F3NO/c1-2-3-4-5-16-6-11-22(27-14-16)18-9-7-17(8-10-18)19-12-20(25)23(28-15-24)21(26)13-19/h6-14H,2-5,15H2,1H3
InChIKeyKISVHGMGWWIIGL-UHFFFAOYSA-N
XLogP6.73
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.43
LogP ≤ 56.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butoxy-1,3-difluoro-5-(4-pentylphenyl)benzene
CID 67842427
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
2-(4-dodecoxy-3-fluorophenyl)-5-pentylpyridine
CID 21286203
2-(3-fluoro-4-octadecoxyphenyl)-5-octylpyridine
CID 21286212
2-(3-fluoro-4-methoxyphenyl)-5-octylpyridine
CID 19850593
5-butyl-2-(3,4-difluorophenyl)pyridine
CID 70829894
2-[4-(2-fluoro-4-pentylphenyl)phenyl]-5-heptylpyridine
CID 19859898
2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
CID 19841822
5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine
CID 19841812
2-[4-[4-[4-(3,3-difluoroprop-1-enoxy)-3,5-difluorophenyl]phenyl]phenyl]-5-propylpyridine
CID 123713603
2-[4-(2-fluoro-4-propylphenyl)phenyl]-5-pentylpyridine
CID 19859704
5-butyl-2-(3-fluoro-4-pentoxyphenyl)pyridine
CID 21286166

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-pentylpyridine?
The IUPAC name of 2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-pentylpyridine (CID 58383763) is 2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-pentylpyridine.
What is the SMILES notation for 2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-pentylpyridine?
The canonical SMILES for 2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-pentylpyridine is CCCCCc1ccc(-c2ccc(-c3cc(F)c(OCF)c(F)c3)cc2)nc1.
What is the InChIKey of 2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-pentylpyridine?
The InChIKey is KISVHGMGWWIIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3NO/c1-2-3-4-5-16-6-11-22(27-14-16)18-9-7-17(8-10-18)19-12-20(25)23(28-15-24)21(26)13-19/h6-14H,2-5,15H2,1H3.
What are the key properties of 2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-pentylpyridine?
2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-pentylpyridine has a molecular weight of 385.43 g/mol, XLogP of 6.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3,5-difluoro-4-(fluoromethoxy)phenyl]phenyl]-5-pentylpyridine is sourced from PubChem (CID 58383763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).