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

C19H10BrF6N — CID 57468744

IUPAC2-(3-bromophenyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2cc(C(F)(F)F)cc(-c3cccc(Br)c3)n2)cc1
InChIInChI=1S/C19H10BrF6N/c20-15-3-1-2-12(8-15)17-10-14(19(24,25)26)9-16(27-17)11-4-6-13(7-5-11)18(21,22)23/h1-10H
InChIKeyXUFQLCFVJFCFKT-UHFFFAOYSA-N
MW446.19 g/mol
LogP7.22
Rot. Bonds2

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

2-(3-bromophenyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine (PubChem CID 57468744) has the molecular formula C19H10BrF6N and a molecular weight of 446.19 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
PubChem CID57468744
Molecular FormulaC19H10BrF6N
Molecular Weight446.19 g/mol
Exact Mass444.99
IUPAC Name2-(3-bromophenyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
SMILESFC(F)(F)c1ccc(-c2cc(C(F)(F)F)cc(-c3cccc(Br)c3)n2)cc1
InChIInChI=1S/C19H10BrF6N/c20-15-3-1-2-12(8-15)17-10-14(19(24,25)26)9-16(27-17)11-4-6-13(7-5-11)18(21,22)23/h1-10H
InChIKeyXUFQLCFVJFCFKT-UHFFFAOYSA-N
XLogP7.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.19
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-(3-bromophenyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine (CID 57468744) is 2-(3-bromophenyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-(3-bromophenyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-(3-bromophenyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine is FC(F)(F)c1ccc(-c2cc(C(F)(F)F)cc(-c3cccc(Br)c3)n2)cc1.
What is the InChIKey of 2-(3-bromophenyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine?
The InChIKey is XUFQLCFVJFCFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H10BrF6N/c20-15-3-1-2-12(8-15)17-10-14(19(24,25)26)9-16(27-17)11-4-6-13(7-5-11)18(21,22)23/h1-10H.
What are the key properties of 2-(3-bromophenyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine?
2-(3-bromophenyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine has a molecular weight of 446.19 g/mol, XLogP of 7.22, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 57468744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).