5-butyl-2-[2-(4-ethoxyphenyl)ethynyl]pyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-ethylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-heptylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-hexylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-methylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-octylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-pentylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-propylpyridine

C156H176N8O8 — CID 173394270

IUPAC5-butyl-2-[2-(4-ethoxyphenyl)ethynyl]pyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-ethylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-heptylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-hexylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-methylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-octylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-pentylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-propylpyridine
SMILESCCCCCCCCc1ccc(C#Cc2ccc(OCC)cc2)nc1.CCCCCCCc1ccc(C#Cc2ccc(OCC)cc2)nc1.CCCCCCc1ccc(C#Cc2ccc(OCC)cc2)nc1.CCCCCc1ccc(C#Cc2ccc(OCC)cc2)nc1.CCCCc1ccc(C#Cc2ccc(OCC)cc2)nc1.CCCc1ccc(C#Cc2ccc(OCC)cc2)nc1.CCOc1ccc(C#Cc2ccc(C)cn2)cc1.CCOc1ccc(C#Cc2ccc(CC)cn2)cc1
InChIInChI=1S/C23H29NO.C22H27NO.C21H25NO.C20H23NO.C19H21NO.C18H19NO.C17H17NO.C16H15NO/c1-3-5-6-7-8-9-10-21-12-16-22(24-19-21)15-11-20-13-17-23(18-14-20)25-4-2;1-3-5-6-7-8-9-20-11-15-21(23-18-20)14-10-19-12-16-22(17-13-19)24-4-2;1-3-5-6-7-8-19-10-14-20(22-17-19)13-9-18-11-15-21(16-12-18)23-4-2;1-3-5-6-7-18-9-13-19(21-16-18)12-8-17-10-14-20(15-11-17)22-4-2;1-3-5-6-17-8-12-18(20-15-17)11-7-16-9-13-19(14-10-16)21-4-2;1-3-5-16-7-11-17(19-14-16)10-6-15-8-12-18(13-9-15)20-4-2;1-3-14-5-9-16(18-13-14)10-6-15-7-11-17(12-8-15)19-4-2;1-3-18-16-10-6-14(7-11-16)5-9-15-8-4-13(2)12-17-15/h12-14,16-19H,3-10H2,1-2H3;11-13,15-18H,3-9H2,1-2H3;10-12,14-17H,3-8H2,1-2H3;9-11,13-16H,3-7H2,1-2H3;8-10,12-15H,3-6H2,1-2H3;7-9,11-14H,3-5H2,1-2H3;5,7-9,11-13H,3-4H2,1-2H3;4,6-8,10-12H,3H2,1-2H3
InChIKeyGQEYJMIWABNBMI-UHFFFAOYSA-N
MW2291.17 g/mol
LogP35.48
Rot. Bonds44

About 5-butyl-2-[2-(4-ethoxyphenyl)ethynyl]pyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-ethylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-heptylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-hexylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-methylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-octylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-pentylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-propylpyridine

5-butyl-2-[2-(4-ethoxyphenyl)ethynyl]pyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-ethylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-heptylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-hexylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-methylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-octylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-pentylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-propylpyridine (PubChem CID 173394270) has the molecular formula C156H176N8O8 and a molecular weight of 2291.17 g/mol. Its IUPAC name is 5-butyl-2-[2-(4-ethoxyphenyl)ethynyl]pyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-ethylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-heptylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-hexylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-methylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-octylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-pentylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-propylpyridine.

Molecular Properties

Compound Name5-butyl-2-[2-(4-ethoxyphenyl)ethynyl]pyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-ethylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-heptylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-hexylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-methylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-octylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-pentylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-propylpyridine
PubChem CID173394270
Molecular FormulaC156H176N8O8
Molecular Weight2291.17 g/mol
Exact Mass2289.36
IUPAC Name5-butyl-2-[2-(4-ethoxyphenyl)ethynyl]pyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-ethylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-heptylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-hexylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-methylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-octylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-pentylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-propylpyridine
SMILESCCCCCCCCc1ccc(C#Cc2ccc(OCC)cc2)nc1.CCCCCCCc1ccc(C#Cc2ccc(OCC)cc2)nc1.CCCCCCc1ccc(C#Cc2ccc(OCC)cc2)nc1.CCCCCc1ccc(C#Cc2ccc(OCC)cc2)nc1.CCCCc1ccc(C#Cc2ccc(OCC)cc2)nc1.CCCc1ccc(C#Cc2ccc(OCC)cc2)nc1.CCOc1ccc(C#Cc2ccc(C)cn2)cc1.CCOc1ccc(C#Cc2ccc(CC)cn2)cc1
InChIInChI=1S/C23H29NO.C22H27NO.C21H25NO.C20H23NO.C19H21NO.C18H19NO.C17H17NO.C16H15NO/c1-3-5-6-7-8-9-10-21-12-16-22(24-19-21)15-11-20-13-17-23(18-14-20)25-4-2;1-3-5-6-7-8-9-20-11-15-21(23-18-20)14-10-19-12-16-22(17-13-19)24-4-2;1-3-5-6-7-8-19-10-14-20(22-17-19)13-9-18-11-15-21(16-12-18)23-4-2;1-3-5-6-7-18-9-13-19(21-16-18)12-8-17-10-14-20(15-11-17)22-4-2;1-3-5-6-17-8-12-18(20-15-17)11-7-16-9-13-19(14-10-16)21-4-2;1-3-5-16-7-11-17(19-14-16)10-6-15-8-12-18(13-9-15)20-4-2;1-3-14-5-9-16(18-13-14)10-6-15-7-11-17(12-8-15)19-4-2;1-3-18-16-10-6-14(7-11-16)5-9-15-8-4-13(2)12-17-15/h12-14,16-19H,3-10H2,1-2H3;11-13,15-18H,3-9H2,1-2H3;10-12,14-17H,3-8H2,1-2H3;9-11,13-16H,3-7H2,1-2H3;8-10,12-15H,3-6H2,1-2H3;7-9,11-14H,3-5H2,1-2H3;5,7-9,11-13H,3-4H2,1-2H3;4,6-8,10-12H,3H2,1-2H3
InChIKeyGQEYJMIWABNBMI-UHFFFAOYSA-N
XLogP35.48
TPSA176.96 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds44
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002291.17
LogP ≤ 535.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 5-butyl-2-[2-(4-ethoxyphenyl)ethynyl]pyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-ethylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-heptylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-hexylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-methylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-octylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-pentylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-propylpyridine with MolForge

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Related Compounds

2-[2-(4-ethoxyphenyl)ethynyl]-5-hexylpyridine
CID 19984964
5-octyl-2-[2-(4-propylphenyl)ethynyl]pyridine
CID 19984715
5-butyl-2-[2-(4-hexoxyphenyl)ethynyl]pyridine
CID 19984218
2-[2-(4-butylphenyl)ethynyl]-5-hexylpyridine
CID 19985049
2-[2-(4-butylphenyl)ethynyl]-5-methylpyridine
CID 19983934
2-[2-(4-butoxyphenyl)ethynyl]-5-methylpyridine
CID 19983985
5-methoxy-2-[2-(4-octylphenyl)ethynyl]pyridine
CID 19984898
5-heptoxy-2-[2-(4-pentylphenyl)ethynyl]pyridine
CID 19983962
2-[2-(4-butylphenyl)ethynyl]-5-heptoxypyridine
CID 19984473
2-[2-(4-ethylphenyl)ethynyl]-5-octoxypyridine
CID 19985091
2,5-bis[2-(4-heptoxyphenyl)ethynyl]pyridine
CID 58721235
1-ethoxy-4-[(E)-6-(4-hexylphenyl)hex-3-en-1,5-diynyl]benzene
CID 19424967

Frequently Asked Questions

What is the IUPAC name of 5-butyl-2-[2-(4-ethoxyphenyl)ethynyl]pyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-ethylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-heptylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-hexylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-methylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-octylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-pentylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-propylpyridine?
The IUPAC name of 5-butyl-2-[2-(4-ethoxyphenyl)ethynyl]pyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-ethylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-heptylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-hexylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-methylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-octylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-pentylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-propylpyridine (CID 173394270) is 5-butyl-2-[2-(4-ethoxyphenyl)ethynyl]pyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-ethylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-heptylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-hexylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-methylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-octylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-pentylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-propylpyridine.
What is the SMILES notation for 5-butyl-2-[2-(4-ethoxyphenyl)ethynyl]pyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-ethylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-heptylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-hexylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-methylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-octylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-pentylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-propylpyridine?
The canonical SMILES for 5-butyl-2-[2-(4-ethoxyphenyl)ethynyl]pyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-ethylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-heptylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-hexylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-methylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-octylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-pentylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-propylpyridine is CCCCCCCCc1ccc(C#Cc2ccc(OCC)cc2)nc1.CCCCCCCc1ccc(C#Cc2ccc(OCC)cc2)nc1.CCCCCCc1ccc(C#Cc2ccc(OCC)cc2)nc1.CCCCCc1ccc(C#Cc2ccc(OCC)cc2)nc1.CCCCc1ccc(C#Cc2ccc(OCC)cc2)nc1.CCCc1ccc(C#Cc2ccc(OCC)cc2)nc1.CCOc1ccc(C#Cc2ccc(C)cn2)cc1.CCOc1ccc(C#Cc2ccc(CC)cn2)cc1.
What is the InChIKey of 5-butyl-2-[2-(4-ethoxyphenyl)ethynyl]pyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-ethylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-heptylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-hexylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-methylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-octylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-pentylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-propylpyridine?
The InChIKey is GQEYJMIWABNBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29NO.C22H27NO.C21H25NO.C20H23NO.C19H21NO.C18H19NO.C17H17NO.C16H15NO/c1-3-5-6-7-8-9-10-21-12-16-22(24-19-21)15-11-20-13-17-23(18-14-20)25-4-2;1-3-5-6-7-8-9-20-11-15-21(23-18-20)14-10-19-12-16-22(17-13-19)24-4-2;1-3-5-6-7-8-19-10-14-20(22-17-19)13-9-18-11-15-21(16-12-18)23-4-2;1-3-5-6-7-18-9-13-19(21-16-18)12-8-17-10-14-20(15-11-17)22-4-2;1-3-5-6-17-8-12-18(20-15-17)11-7-16-9-13-19(14-10-16)21-4-2;1-3-5-16-7-11-17(19-14-16)10-6-15-8-12-18(13-9-15)20-4-2;1-3-14-5-9-16(18-13-14)10-6-15-7-11-17(12-8-15)19-4-2;1-3-18-16-10-6-14(7-11-16)5-9-15-8-4-13(2)12-17-15/h12-14,16-19H,3-10H2,1-2H3;11-13,15-18H,3-9H2,1-2H3;10-12,14-17H,3-8H2,1-2H3;9-11,13-16H,3-7H2,1-2H3;8-10,12-15H,3-6H2,1-2H3;7-9,11-14H,3-5H2,1-2H3;5,7-9,11-13H,3-4H2,1-2H3;4,6-8,10-12H,3H2,1-2H3.
What are the key properties of 5-butyl-2-[2-(4-ethoxyphenyl)ethynyl]pyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-ethylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-heptylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-hexylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-methylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-octylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-pentylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-propylpyridine?
5-butyl-2-[2-(4-ethoxyphenyl)ethynyl]pyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-ethylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-heptylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-hexylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-methylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-octylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-pentylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-propylpyridine has a molecular weight of 2291.17 g/mol, XLogP of 35.48, 44 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-2-[2-(4-ethoxyphenyl)ethynyl]pyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-ethylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-heptylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-hexylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-methylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-octylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-pentylpyridine;2-[2-(4-ethoxyphenyl)ethynyl]-5-propylpyridine is sourced from PubChem (CID 173394270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).