2-(4-bromophenyl)-4-(4-fluorophenyl)-6-methylpyridine

C18H13BrFN — CID 147160658

IUPAC2-(4-bromophenyl)-4-(4-fluorophenyl)-6-methylpyridine
SMILESCc1cc(-c2ccc(F)cc2)cc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C18H13BrFN/c1-12-10-15(13-4-8-17(20)9-5-13)11-18(21-12)14-2-6-16(19)7-3-14/h2-11H,1H3
InChIKeyBVTSIQIOYHHZTO-UHFFFAOYSA-N
MW342.21 g/mol
LogP5.63
Rot. Bonds2

About 2-(4-bromophenyl)-4-(4-fluorophenyl)-6-methylpyridine

2-(4-bromophenyl)-4-(4-fluorophenyl)-6-methylpyridine (PubChem CID 147160658) has the molecular formula C18H13BrFN and a molecular weight of 342.21 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-(4-fluorophenyl)-6-methylpyridine.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-(4-fluorophenyl)-6-methylpyridine
PubChem CID147160658
Molecular FormulaC18H13BrFN
Molecular Weight342.21 g/mol
Exact Mass341.02
IUPAC Name2-(4-bromophenyl)-4-(4-fluorophenyl)-6-methylpyridine
SMILESCc1cc(-c2ccc(F)cc2)cc(-c2ccc(Br)cc2)n1
InChIInChI=1S/C18H13BrFN/c1-12-10-15(13-4-8-17(20)9-5-13)11-18(21-12)14-2-6-16(19)7-3-14/h2-11H,1H3
InChIKeyBVTSIQIOYHHZTO-UHFFFAOYSA-N
XLogP5.63
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.21
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-(4-fluorophenyl)-6-methylpyridine?
The IUPAC name of 2-(4-bromophenyl)-4-(4-fluorophenyl)-6-methylpyridine (CID 147160658) is 2-(4-bromophenyl)-4-(4-fluorophenyl)-6-methylpyridine.
What is the SMILES notation for 2-(4-bromophenyl)-4-(4-fluorophenyl)-6-methylpyridine?
The canonical SMILES for 2-(4-bromophenyl)-4-(4-fluorophenyl)-6-methylpyridine is Cc1cc(-c2ccc(F)cc2)cc(-c2ccc(Br)cc2)n1.
What is the InChIKey of 2-(4-bromophenyl)-4-(4-fluorophenyl)-6-methylpyridine?
The InChIKey is BVTSIQIOYHHZTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrFN/c1-12-10-15(13-4-8-17(20)9-5-13)11-18(21-12)14-2-6-16(19)7-3-14/h2-11H,1H3.
What are the key properties of 2-(4-bromophenyl)-4-(4-fluorophenyl)-6-methylpyridine?
2-(4-bromophenyl)-4-(4-fluorophenyl)-6-methylpyridine has a molecular weight of 342.21 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-(4-fluorophenyl)-6-methylpyridine is sourced from PubChem (CID 147160658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).