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

C20H16Br2FNS — CID 15099549

IUPAC3-(2,2-dibromoethenyl)-4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-ylpyridine
SMILESCC(C)c1nc(-c2cccs2)cc(-c2ccc(F)cc2)c1C=C(Br)Br
InChIInChI=1S/C20H16Br2FNS/c1-12(2)20-16(11-19(21)22)15(13-5-7-14(23)8-6-13)10-17(24-20)18-4-3-9-25-18/h3-12H,1-2H3
InChIKeyGAFISLHMTHRQBM-UHFFFAOYSA-N
MW481.23 g/mol
LogP7.83
Rot. Bonds4

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

3-(2,2-dibromoethenyl)-4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-ylpyridine (PubChem CID 15099549) has the molecular formula C20H16Br2FNS and a molecular weight of 481.23 g/mol. Its IUPAC name is 3-(2,2-dibromoethenyl)-4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-ylpyridine.

Molecular Properties

Compound Name3-(2,2-dibromoethenyl)-4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-ylpyridine
PubChem CID15099549
Molecular FormulaC20H16Br2FNS
Molecular Weight481.23 g/mol
Exact Mass478.94
IUPAC Name3-(2,2-dibromoethenyl)-4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-ylpyridine
SMILESCC(C)c1nc(-c2cccs2)cc(-c2ccc(F)cc2)c1C=C(Br)Br
InChIInChI=1S/C20H16Br2FNS/c1-12(2)20-16(11-19(21)22)15(13-5-7-14(23)8-6-13)10-17(24-20)18-4-3-9-25-18/h3-12H,1-2H3
InChIKeyGAFISLHMTHRQBM-UHFFFAOYSA-N
XLogP7.83
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.23
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dibromoethenyl)-4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-ylpyridine?
The IUPAC name of 3-(2,2-dibromoethenyl)-4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-ylpyridine (CID 15099549) is 3-(2,2-dibromoethenyl)-4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-ylpyridine.
What is the SMILES notation for 3-(2,2-dibromoethenyl)-4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-ylpyridine?
The canonical SMILES for 3-(2,2-dibromoethenyl)-4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-ylpyridine is CC(C)c1nc(-c2cccs2)cc(-c2ccc(F)cc2)c1C=C(Br)Br.
What is the InChIKey of 3-(2,2-dibromoethenyl)-4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-ylpyridine?
The InChIKey is GAFISLHMTHRQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16Br2FNS/c1-12(2)20-16(11-19(21)22)15(13-5-7-14(23)8-6-13)10-17(24-20)18-4-3-9-25-18/h3-12H,1-2H3.
What are the key properties of 3-(2,2-dibromoethenyl)-4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-ylpyridine?
3-(2,2-dibromoethenyl)-4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-ylpyridine has a molecular weight of 481.23 g/mol, XLogP of 7.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dibromoethenyl)-4-(4-fluorophenyl)-2-propan-2-yl-6-thiophen-2-ylpyridine is sourced from PubChem (CID 15099549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).