2-[4-(2-bromophenyl)phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine

C25H17BrF3N — CID 122487768

IUPAC2-[4-(2-bromophenyl)phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine
SMILESCc1cc(-c2ccc(-c3ccccc3Br)cc2)ncc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H17BrF3N/c1-16-13-24(18-11-9-17(10-12-18)21-7-2-3-8-23(21)26)30-15-22(16)19-5-4-6-20(14-19)25(27,28)29/h2-15H,1H3
InChIKeyBIYZEXQWYUZVMM-UHFFFAOYSA-N
MW468.32 g/mol
LogP8.17
Rot. Bonds3

About 2-[4-(2-bromophenyl)phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine

2-[4-(2-bromophenyl)phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine (PubChem CID 122487768) has the molecular formula C25H17BrF3N and a molecular weight of 468.32 g/mol. Its IUPAC name is 2-[4-(2-bromophenyl)phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-[4-(2-bromophenyl)phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine
PubChem CID122487768
Molecular FormulaC25H17BrF3N
Molecular Weight468.32 g/mol
Exact Mass467.05
IUPAC Name2-[4-(2-bromophenyl)phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine
SMILESCc1cc(-c2ccc(-c3ccccc3Br)cc2)ncc1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H17BrF3N/c1-16-13-24(18-11-9-17(10-12-18)21-7-2-3-8-23(21)26)30-15-22(16)19-5-4-6-20(14-19)25(27,28)29/h2-15H,1H3
InChIKeyBIYZEXQWYUZVMM-UHFFFAOYSA-N
XLogP8.17
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.32
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-bromophenyl)phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine?
The IUPAC name of 2-[4-(2-bromophenyl)phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine (CID 122487768) is 2-[4-(2-bromophenyl)phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine.
What is the SMILES notation for 2-[4-(2-bromophenyl)phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine?
The canonical SMILES for 2-[4-(2-bromophenyl)phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine is Cc1cc(-c2ccc(-c3ccccc3Br)cc2)ncc1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[4-(2-bromophenyl)phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine?
The InChIKey is BIYZEXQWYUZVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17BrF3N/c1-16-13-24(18-11-9-17(10-12-18)21-7-2-3-8-23(21)26)30-15-22(16)19-5-4-6-20(14-19)25(27,28)29/h2-15H,1H3.
What are the key properties of 2-[4-(2-bromophenyl)phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine?
2-[4-(2-bromophenyl)phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine has a molecular weight of 468.32 g/mol, XLogP of 8.17, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-bromophenyl)phenyl]-4-methyl-5-[3-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 122487768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).