2-(3-bromophenyl)-6-ethyl-4-[4-(trifluoromethyl)phenyl]pyridine

C20H15BrF3N — CID 57468803

IUPAC2-(3-bromophenyl)-6-ethyl-4-[4-(trifluoromethyl)phenyl]pyridine
SMILESCCc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(Br)c2)n1
InChIInChI=1S/C20H15BrF3N/c1-2-18-11-15(13-6-8-16(9-7-13)20(22,23)24)12-19(25-18)14-4-3-5-17(21)10-14/h3-12H,2H2,1H3
InChIKeyAKTSFFNPAISYGC-UHFFFAOYSA-N
MW406.25 g/mol
LogP6.76
Rot. Bonds3

About 2-(3-bromophenyl)-6-ethyl-4-[4-(trifluoromethyl)phenyl]pyridine

2-(3-bromophenyl)-6-ethyl-4-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 57468803) has the molecular formula C20H15BrF3N and a molecular weight of 406.25 g/mol. Its IUPAC name is 2-(3-bromophenyl)-6-ethyl-4-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-(3-bromophenyl)-6-ethyl-4-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID57468803
Molecular FormulaC20H15BrF3N
Molecular Weight406.25 g/mol
Exact Mass405.03
IUPAC Name2-(3-bromophenyl)-6-ethyl-4-[4-(trifluoromethyl)phenyl]pyridine
SMILESCCc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(Br)c2)n1
InChIInChI=1S/C20H15BrF3N/c1-2-18-11-15(13-6-8-16(9-7-13)20(22,23)24)12-19(25-18)14-4-3-5-17(21)10-14/h3-12H,2H2,1H3
InChIKeyAKTSFFNPAISYGC-UHFFFAOYSA-N
XLogP6.76
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.25
LogP ≤ 56.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-6-ethyl-4-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-(3-bromophenyl)-6-ethyl-4-[4-(trifluoromethyl)phenyl]pyridine (CID 57468803) is 2-(3-bromophenyl)-6-ethyl-4-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-(3-bromophenyl)-6-ethyl-4-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-(3-bromophenyl)-6-ethyl-4-[4-(trifluoromethyl)phenyl]pyridine is CCc1cc(-c2ccc(C(F)(F)F)cc2)cc(-c2cccc(Br)c2)n1.
What is the InChIKey of 2-(3-bromophenyl)-6-ethyl-4-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is AKTSFFNPAISYGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrF3N/c1-2-18-11-15(13-6-8-16(9-7-13)20(22,23)24)12-19(25-18)14-4-3-5-17(21)10-14/h3-12H,2H2,1H3.
What are the key properties of 2-(3-bromophenyl)-6-ethyl-4-[4-(trifluoromethyl)phenyl]pyridine?
2-(3-bromophenyl)-6-ethyl-4-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 406.25 g/mol, XLogP of 6.76, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-6-ethyl-4-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 57468803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).