2,6-difluoro-3-[2-[4-(4-propylphenyl)phenyl]ethynyl]pyridine;3-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-2,6-difluoropyridine

C43H32F4N2 — CID 67924025

IUPAC2,6-difluoro-3-[2-[4-(4-propylphenyl)phenyl]ethynyl]pyridine;3-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-2,6-difluoropyridine
SMILESCCCc1ccc(-c2ccc(C#Cc3ccc(F)nc3F)cc2)cc1.CCc1ccc(-c2ccc(C#Cc3ccc(F)nc3F)cc2)cc1
InChIInChI=1S/C22H17F2N.C21H15F2N/c1-2-3-16-4-9-18(10-5-16)19-11-6-17(7-12-19)8-13-20-14-15-21(23)25-22(20)24;1-2-15-3-8-17(9-4-15)18-10-5-16(6-11-18)7-12-19-13-14-20(22)24-21(19)23/h4-7,9-12,14-15H,2-3H2,1H3;3-6,8-11,13-14H,2H2,1H3
InChIKeyUYVVBWKJEWINOG-UHFFFAOYSA-N
MW652.74 g/mol
LogP10.37
Rot. Bonds5

About 2,6-difluoro-3-[2-[4-(4-propylphenyl)phenyl]ethynyl]pyridine;3-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-2,6-difluoropyridine

2,6-difluoro-3-[2-[4-(4-propylphenyl)phenyl]ethynyl]pyridine;3-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-2,6-difluoropyridine (PubChem CID 67924025) has the molecular formula C43H32F4N2 and a molecular weight of 652.74 g/mol. Its IUPAC name is 2,6-difluoro-3-[2-[4-(4-propylphenyl)phenyl]ethynyl]pyridine;3-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-2,6-difluoropyridine.

Molecular Properties

Compound Name2,6-difluoro-3-[2-[4-(4-propylphenyl)phenyl]ethynyl]pyridine;3-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-2,6-difluoropyridine
PubChem CID67924025
Molecular FormulaC43H32F4N2
Molecular Weight652.74 g/mol
Exact Mass652.25
IUPAC Name2,6-difluoro-3-[2-[4-(4-propylphenyl)phenyl]ethynyl]pyridine;3-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-2,6-difluoropyridine
SMILESCCCc1ccc(-c2ccc(C#Cc3ccc(F)nc3F)cc2)cc1.CCc1ccc(-c2ccc(C#Cc3ccc(F)nc3F)cc2)cc1
InChIInChI=1S/C22H17F2N.C21H15F2N/c1-2-3-16-4-9-18(10-5-16)19-11-6-17(7-12-19)8-13-20-14-15-21(23)25-22(20)24;1-2-15-3-8-17(9-4-15)18-10-5-16(6-11-18)7-12-19-13-14-20(22)24-21(19)23/h4-7,9-12,14-15H,2-3H2,1H3;3-6,8-11,13-14H,2H2,1H3
InChIKeyUYVVBWKJEWINOG-UHFFFAOYSA-N
XLogP10.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.74
LogP ≤ 510.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-(4-butylphenyl)ethynyl]-2,6-difluoropyridine
CID 19765720
2,6-difluoro-3-[2-[4-(4-propylphenyl)phenyl]ethyl]pyridine
CID 19765751
2-fluoro-6-[2-[4-(4-propylphenyl)phenyl]ethynyl]naphthalene
CID 139858897
2-fluoro-1-[2-[4-(4-methylphenyl)phenyl]ethynyl]-4-propylbenzene
CID 163541849
1-ethyl-4-[4-(4-propylphenyl)phenyl]benzene
CID 58975771
1-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-4-fluoro-2-methylbenzene
CID 102146472
1-(4-ethylphenyl)-4-[2-(4-ethylphenyl)ethynyl]-2,3-difluorobenzene
CID 67865174
1-[2-[4-[2-(4-ethylphenyl)ethynyl]phenyl]ethynyl]-2,3-difluoro-4-methylbenzene
CID 22112244
2-[2-(4-chlorophenyl)ethynyl]-1-fluoro-6-(4-propylphenyl)naphthalene
CID 139851165
2,6-difluoro-3-[2-[4-(4-propylphenyl)cyclohexyl]ethynyl]pyridine
CID 19765437
ethane;1-ethyl-4-(4-propylphenyl)benzene
CID 142388235
1,2-difluoro-3-[2-[4-[2-(4-propylphenyl)ethynyl]phenyl]ethynyl]benzene
CID 22112430

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-3-[2-[4-(4-propylphenyl)phenyl]ethynyl]pyridine;3-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-2,6-difluoropyridine?
The IUPAC name of 2,6-difluoro-3-[2-[4-(4-propylphenyl)phenyl]ethynyl]pyridine;3-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-2,6-difluoropyridine (CID 67924025) is 2,6-difluoro-3-[2-[4-(4-propylphenyl)phenyl]ethynyl]pyridine;3-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-2,6-difluoropyridine.
What is the SMILES notation for 2,6-difluoro-3-[2-[4-(4-propylphenyl)phenyl]ethynyl]pyridine;3-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-2,6-difluoropyridine?
The canonical SMILES for 2,6-difluoro-3-[2-[4-(4-propylphenyl)phenyl]ethynyl]pyridine;3-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-2,6-difluoropyridine is CCCc1ccc(-c2ccc(C#Cc3ccc(F)nc3F)cc2)cc1.CCc1ccc(-c2ccc(C#Cc3ccc(F)nc3F)cc2)cc1.
What is the InChIKey of 2,6-difluoro-3-[2-[4-(4-propylphenyl)phenyl]ethynyl]pyridine;3-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-2,6-difluoropyridine?
The InChIKey is UYVVBWKJEWINOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N.C21H15F2N/c1-2-3-16-4-9-18(10-5-16)19-11-6-17(7-12-19)8-13-20-14-15-21(23)25-22(20)24;1-2-15-3-8-17(9-4-15)18-10-5-16(6-11-18)7-12-19-13-14-20(22)24-21(19)23/h4-7,9-12,14-15H,2-3H2,1H3;3-6,8-11,13-14H,2H2,1H3.
What are the key properties of 2,6-difluoro-3-[2-[4-(4-propylphenyl)phenyl]ethynyl]pyridine;3-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-2,6-difluoropyridine?
2,6-difluoro-3-[2-[4-(4-propylphenyl)phenyl]ethynyl]pyridine;3-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-2,6-difluoropyridine has a molecular weight of 652.74 g/mol, XLogP of 10.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-3-[2-[4-(4-propylphenyl)phenyl]ethynyl]pyridine;3-[2-[4-(4-ethylphenyl)phenyl]ethynyl]-2,6-difluoropyridine is sourced from PubChem (CID 67924025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).