2-[4-[2-(6-fluoronaphthalen-2-yl)ethynyl]phenyl]-5-pentylpyridine

C28H24FN — CID 139857066

IUPAC2-[4-[2-(6-fluoronaphthalen-2-yl)ethynyl]phenyl]-5-pentylpyridine
SMILESCCCCCc1ccc(-c2ccc(C#Cc3ccc4cc(F)ccc4c3)cc2)nc1
InChIInChI=1S/C28H24FN/c1-2-3-4-5-23-11-17-28(30-20-23)24-12-8-21(9-13-24)6-7-22-10-14-26-19-27(29)16-15-25(26)18-22/h8-20H,2-5H2,1H3
InChIKeyGXPRJHVEMKNNHM-UHFFFAOYSA-N
MW393.51 g/mol
LogP7.17
Rot. Bonds5

About 2-[4-[2-(6-fluoronaphthalen-2-yl)ethynyl]phenyl]-5-pentylpyridine

2-[4-[2-(6-fluoronaphthalen-2-yl)ethynyl]phenyl]-5-pentylpyridine (PubChem CID 139857066) has the molecular formula C28H24FN and a molecular weight of 393.51 g/mol. Its IUPAC name is 2-[4-[2-(6-fluoronaphthalen-2-yl)ethynyl]phenyl]-5-pentylpyridine.

Molecular Properties

Compound Name2-[4-[2-(6-fluoronaphthalen-2-yl)ethynyl]phenyl]-5-pentylpyridine
PubChem CID139857066
Molecular FormulaC28H24FN
Molecular Weight393.51 g/mol
Exact Mass393.19
IUPAC Name2-[4-[2-(6-fluoronaphthalen-2-yl)ethynyl]phenyl]-5-pentylpyridine
SMILESCCCCCc1ccc(-c2ccc(C#Cc3ccc4cc(F)ccc4c3)cc2)nc1
InChIInChI=1S/C28H24FN/c1-2-3-4-5-23-11-17-28(30-20-23)24-12-8-21(9-13-24)6-7-22-10-14-26-19-27(29)16-15-25(26)18-22/h8-20H,2-5H2,1H3
InChIKeyGXPRJHVEMKNNHM-UHFFFAOYSA-N
XLogP7.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.51
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-butoxy-2-[4-[2-(6-fluoronaphthalen-2-yl)ethynyl]phenyl]pyridine
CID 139859259
2-[3-fluoro-4-[2-(6-fluoronaphthalen-2-yl)ethynyl]phenyl]-5-(3-methoxypropyl)pyridine
CID 139859578
2-fluoro-6-[2-[4-(4-propylphenyl)phenyl]ethynyl]naphthalene
CID 139858897
5-butyl-2-[3-fluoro-4-[2-(6-fluoronaphthalen-2-yl)ethynyl]phenyl]pyrimidine
CID 139858362
2-[3-fluoro-4-[2-(6-fluoronaphthalen-2-yl)ethynyl]phenyl]-5-pentoxypyridine
CID 139856971
5-hexyl-2-[6-(4-octylphenyl)-3-pyridinyl]pyridine
CID 139839622
5-ethyl-2-[4-[2-(6-fluoronaphthalen-2-yl)ethynyl]phenyl]pyrimidine
CID 139858298
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
2,3-difluoro-6-[2-[4-[2-(4-pentylphenyl)ethynyl]phenyl]ethynyl]naphthalene
CID 139858468
2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
CID 19841822
5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine
CID 19841812
5-dodecyl-2-(4-octoxyphenyl)pyridine
CID 139626618

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(6-fluoronaphthalen-2-yl)ethynyl]phenyl]-5-pentylpyridine?
The IUPAC name of 2-[4-[2-(6-fluoronaphthalen-2-yl)ethynyl]phenyl]-5-pentylpyridine (CID 139857066) is 2-[4-[2-(6-fluoronaphthalen-2-yl)ethynyl]phenyl]-5-pentylpyridine.
What is the SMILES notation for 2-[4-[2-(6-fluoronaphthalen-2-yl)ethynyl]phenyl]-5-pentylpyridine?
The canonical SMILES for 2-[4-[2-(6-fluoronaphthalen-2-yl)ethynyl]phenyl]-5-pentylpyridine is CCCCCc1ccc(-c2ccc(C#Cc3ccc4cc(F)ccc4c3)cc2)nc1.
What is the InChIKey of 2-[4-[2-(6-fluoronaphthalen-2-yl)ethynyl]phenyl]-5-pentylpyridine?
The InChIKey is GXPRJHVEMKNNHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24FN/c1-2-3-4-5-23-11-17-28(30-20-23)24-12-8-21(9-13-24)6-7-22-10-14-26-19-27(29)16-15-25(26)18-22/h8-20H,2-5H2,1H3.
What are the key properties of 2-[4-[2-(6-fluoronaphthalen-2-yl)ethynyl]phenyl]-5-pentylpyridine?
2-[4-[2-(6-fluoronaphthalen-2-yl)ethynyl]phenyl]-5-pentylpyridine has a molecular weight of 393.51 g/mol, XLogP of 7.17, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(6-fluoronaphthalen-2-yl)ethynyl]phenyl]-5-pentylpyridine is sourced from PubChem (CID 139857066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).