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

C23H20Br2FN — CID 15099568

IUPAC3-(2,2-dibromoethenyl)-4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-ylpyridine
SMILESCc1cc(F)ccc1-c1cc(-c2ccccc2)nc(C(C)C)c1C=C(Br)Br
InChIInChI=1S/C23H20Br2FN/c1-14(2)23-20(13-22(24)25)19(18-10-9-17(26)11-15(18)3)12-21(27-23)16-7-5-4-6-8-16/h4-14H,1-3H3
InChIKeyAUYLMFLMTKSBGJ-UHFFFAOYSA-N
MW489.23 g/mol
LogP8.07
Rot. Bonds4

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

3-(2,2-dibromoethenyl)-4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-ylpyridine (PubChem CID 15099568) has the molecular formula C23H20Br2FN and a molecular weight of 489.23 g/mol. Its IUPAC name is 3-(2,2-dibromoethenyl)-4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-ylpyridine.

Molecular Properties

Compound Name3-(2,2-dibromoethenyl)-4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-ylpyridine
PubChem CID15099568
Molecular FormulaC23H20Br2FN
Molecular Weight489.23 g/mol
Exact Mass486.99
IUPAC Name3-(2,2-dibromoethenyl)-4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-ylpyridine
SMILESCc1cc(F)ccc1-c1cc(-c2ccccc2)nc(C(C)C)c1C=C(Br)Br
InChIInChI=1S/C23H20Br2FN/c1-14(2)23-20(13-22(24)25)19(18-10-9-17(26)11-15(18)3)12-21(27-23)16-7-5-4-6-8-16/h4-14H,1-3H3
InChIKeyAUYLMFLMTKSBGJ-UHFFFAOYSA-N
XLogP8.07
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.23
LogP ≤ 58.07
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)-4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-ylpyridine?
The IUPAC name of 3-(2,2-dibromoethenyl)-4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-ylpyridine (CID 15099568) is 3-(2,2-dibromoethenyl)-4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-ylpyridine.
What is the SMILES notation for 3-(2,2-dibromoethenyl)-4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-ylpyridine?
The canonical SMILES for 3-(2,2-dibromoethenyl)-4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-ylpyridine is Cc1cc(F)ccc1-c1cc(-c2ccccc2)nc(C(C)C)c1C=C(Br)Br.
What is the InChIKey of 3-(2,2-dibromoethenyl)-4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-ylpyridine?
The InChIKey is AUYLMFLMTKSBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Br2FN/c1-14(2)23-20(13-22(24)25)19(18-10-9-17(26)11-15(18)3)12-21(27-23)16-7-5-4-6-8-16/h4-14H,1-3H3.
What are the key properties of 3-(2,2-dibromoethenyl)-4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-ylpyridine?
3-(2,2-dibromoethenyl)-4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-ylpyridine has a molecular weight of 489.23 g/mol, XLogP of 8.07, 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)-4-(4-fluoro-2-methylphenyl)-6-phenyl-2-propan-2-ylpyridine is sourced from PubChem (CID 15099568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).