3-(2,2-dibromoethenyl)-2-(4-fluorophenyl)-6-phenyl-4-propan-2-ylpyridine

C22H18Br2FN — CID 15099566

IUPAC3-(2,2-dibromoethenyl)-2-(4-fluorophenyl)-6-phenyl-4-propan-2-ylpyridine
SMILESCC(C)c1cc(-c2ccccc2)nc(-c2ccc(F)cc2)c1C=C(Br)Br
InChIInChI=1S/C22H18Br2FN/c1-14(2)18-12-20(15-6-4-3-5-7-15)26-22(19(18)13-21(23)24)16-8-10-17(25)11-9-16/h3-14H,1-2H3
InChIKeyWTOGSBGFMVZKSJ-UHFFFAOYSA-N
MW475.20 g/mol
LogP7.77
Rot. Bonds4

About 3-(2,2-dibromoethenyl)-2-(4-fluorophenyl)-6-phenyl-4-propan-2-ylpyridine

3-(2,2-dibromoethenyl)-2-(4-fluorophenyl)-6-phenyl-4-propan-2-ylpyridine (PubChem CID 15099566) has the molecular formula C22H18Br2FN and a molecular weight of 475.20 g/mol. Its IUPAC name is 3-(2,2-dibromoethenyl)-2-(4-fluorophenyl)-6-phenyl-4-propan-2-ylpyridine.

Molecular Properties

Compound Name3-(2,2-dibromoethenyl)-2-(4-fluorophenyl)-6-phenyl-4-propan-2-ylpyridine
PubChem CID15099566
Molecular FormulaC22H18Br2FN
Molecular Weight475.20 g/mol
Exact Mass472.98
IUPAC Name3-(2,2-dibromoethenyl)-2-(4-fluorophenyl)-6-phenyl-4-propan-2-ylpyridine
SMILESCC(C)c1cc(-c2ccccc2)nc(-c2ccc(F)cc2)c1C=C(Br)Br
InChIInChI=1S/C22H18Br2FN/c1-14(2)18-12-20(15-6-4-3-5-7-15)26-22(19(18)13-21(23)24)16-8-10-17(25)11-9-16/h3-14H,1-2H3
InChIKeyWTOGSBGFMVZKSJ-UHFFFAOYSA-N
XLogP7.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.20
LogP ≤ 57.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dibromoethenyl)-2-(4-fluorophenyl)-6-phenyl-4-propan-2-ylpyridine?
The IUPAC name of 3-(2,2-dibromoethenyl)-2-(4-fluorophenyl)-6-phenyl-4-propan-2-ylpyridine (CID 15099566) is 3-(2,2-dibromoethenyl)-2-(4-fluorophenyl)-6-phenyl-4-propan-2-ylpyridine.
What is the SMILES notation for 3-(2,2-dibromoethenyl)-2-(4-fluorophenyl)-6-phenyl-4-propan-2-ylpyridine?
The canonical SMILES for 3-(2,2-dibromoethenyl)-2-(4-fluorophenyl)-6-phenyl-4-propan-2-ylpyridine is CC(C)c1cc(-c2ccccc2)nc(-c2ccc(F)cc2)c1C=C(Br)Br.
What is the InChIKey of 3-(2,2-dibromoethenyl)-2-(4-fluorophenyl)-6-phenyl-4-propan-2-ylpyridine?
The InChIKey is WTOGSBGFMVZKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Br2FN/c1-14(2)18-12-20(15-6-4-3-5-7-15)26-22(19(18)13-21(23)24)16-8-10-17(25)11-9-16/h3-14H,1-2H3.
What are the key properties of 3-(2,2-dibromoethenyl)-2-(4-fluorophenyl)-6-phenyl-4-propan-2-ylpyridine?
3-(2,2-dibromoethenyl)-2-(4-fluorophenyl)-6-phenyl-4-propan-2-ylpyridine has a molecular weight of 475.20 g/mol, XLogP of 7.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dibromoethenyl)-2-(4-fluorophenyl)-6-phenyl-4-propan-2-ylpyridine is sourced from PubChem (CID 15099566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).