5-bromo-2-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane

C24H26BrF2NO — CID 158063386

IUPAC5-bromo-2-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane
SMILESC=C1C(Br)=CC(c2ccccc2)=C(c2c(F)cc(OCC)cc2F)N1CC.CC
InChIInChI=1S/C22H20BrF2NO.C2H6/c1-4-26-14(3)18(23)13-17(15-9-7-6-8-10-15)22(26)21-19(24)11-16(27-5-2)12-20(21)25;1-2/h6-13H,3-5H2,1-2H3;1-2H3
InChIKeyFKXTWBMUAZCGAG-UHFFFAOYSA-N
MW462.38 g/mol
LogP7.39
Rot. Bonds5

About 5-bromo-2-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane

5-bromo-2-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane (PubChem CID 158063386) has the molecular formula C24H26BrF2NO and a molecular weight of 462.38 g/mol. Its IUPAC name is 5-bromo-2-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane.

Molecular Properties

Compound Name5-bromo-2-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane
PubChem CID158063386
Molecular FormulaC24H26BrF2NO
Molecular Weight462.38 g/mol
Exact Mass461.12
IUPAC Name5-bromo-2-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane
SMILESC=C1C(Br)=CC(c2ccccc2)=C(c2c(F)cc(OCC)cc2F)N1CC.CC
InChIInChI=1S/C22H20BrF2NO.C2H6/c1-4-26-14(3)18(23)13-17(15-9-7-6-8-10-15)22(26)21-19(24)11-16(27-5-2)12-20(21)25;1-2/h6-13H,3-5H2,1-2H3;1-2H3
InChIKeyFKXTWBMUAZCGAG-UHFFFAOYSA-N
XLogP7.39
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.38
LogP ≤ 57.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane?
The IUPAC name of 5-bromo-2-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane (CID 158063386) is 5-bromo-2-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane.
What is the SMILES notation for 5-bromo-2-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane?
The canonical SMILES for 5-bromo-2-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane is C=C1C(Br)=CC(c2ccccc2)=C(c2c(F)cc(OCC)cc2F)N1CC.CC.
What is the InChIKey of 5-bromo-2-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane?
The InChIKey is FKXTWBMUAZCGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20BrF2NO.C2H6/c1-4-26-14(3)18(23)13-17(15-9-7-6-8-10-15)22(26)21-19(24)11-16(27-5-2)12-20(21)25;1-2/h6-13H,3-5H2,1-2H3;1-2H3.
What are the key properties of 5-bromo-2-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane?
5-bromo-2-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane has a molecular weight of 462.38 g/mol, XLogP of 7.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-ethoxy-2,6-difluorophenyl)-1-ethyl-6-methylidene-3-phenylpyridine;ethane is sourced from PubChem (CID 158063386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).