2-[4-(2-bromophenyl)phenyl]-5-(4-fluorophenyl)-4-methylpyridine

C24H17BrFN — CID 122487760

IUPAC2-[4-(2-bromophenyl)phenyl]-5-(4-fluorophenyl)-4-methylpyridine
SMILESCc1cc(-c2ccc(-c3ccccc3Br)cc2)ncc1-c1ccc(F)cc1
InChIInChI=1S/C24H17BrFN/c1-16-14-24(27-15-22(16)18-10-12-20(26)13-11-18)19-8-6-17(7-9-19)21-4-2-3-5-23(21)25/h2-15H,1H3
InChIKeyXRENSVSHJCGSNT-UHFFFAOYSA-N
MW418.31 g/mol
LogP7.29
Rot. Bonds3

About 2-[4-(2-bromophenyl)phenyl]-5-(4-fluorophenyl)-4-methylpyridine

2-[4-(2-bromophenyl)phenyl]-5-(4-fluorophenyl)-4-methylpyridine (PubChem CID 122487760) has the molecular formula C24H17BrFN and a molecular weight of 418.31 g/mol. Its IUPAC name is 2-[4-(2-bromophenyl)phenyl]-5-(4-fluorophenyl)-4-methylpyridine.

Molecular Properties

Compound Name2-[4-(2-bromophenyl)phenyl]-5-(4-fluorophenyl)-4-methylpyridine
PubChem CID122487760
Molecular FormulaC24H17BrFN
Molecular Weight418.31 g/mol
Exact Mass417.05
IUPAC Name2-[4-(2-bromophenyl)phenyl]-5-(4-fluorophenyl)-4-methylpyridine
SMILESCc1cc(-c2ccc(-c3ccccc3Br)cc2)ncc1-c1ccc(F)cc1
InChIInChI=1S/C24H17BrFN/c1-16-14-24(27-15-22(16)18-10-12-20(26)13-11-18)19-8-6-17(7-9-19)21-4-2-3-5-23(21)25/h2-15H,1H3
InChIKeyXRENSVSHJCGSNT-UHFFFAOYSA-N
XLogP7.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.31
LogP ≤ 57.29
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]-5-(4-fluorophenyl)-4-methylpyridine?
The IUPAC name of 2-[4-(2-bromophenyl)phenyl]-5-(4-fluorophenyl)-4-methylpyridine (CID 122487760) is 2-[4-(2-bromophenyl)phenyl]-5-(4-fluorophenyl)-4-methylpyridine.
What is the SMILES notation for 2-[4-(2-bromophenyl)phenyl]-5-(4-fluorophenyl)-4-methylpyridine?
The canonical SMILES for 2-[4-(2-bromophenyl)phenyl]-5-(4-fluorophenyl)-4-methylpyridine is Cc1cc(-c2ccc(-c3ccccc3Br)cc2)ncc1-c1ccc(F)cc1.
What is the InChIKey of 2-[4-(2-bromophenyl)phenyl]-5-(4-fluorophenyl)-4-methylpyridine?
The InChIKey is XRENSVSHJCGSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17BrFN/c1-16-14-24(27-15-22(16)18-10-12-20(26)13-11-18)19-8-6-17(7-9-19)21-4-2-3-5-23(21)25/h2-15H,1H3.
What are the key properties of 2-[4-(2-bromophenyl)phenyl]-5-(4-fluorophenyl)-4-methylpyridine?
2-[4-(2-bromophenyl)phenyl]-5-(4-fluorophenyl)-4-methylpyridine has a molecular weight of 418.31 g/mol, XLogP of 7.29, 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]-5-(4-fluorophenyl)-4-methylpyridine is sourced from PubChem (CID 122487760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).