2-(3-bromophenyl)-4-(4-chlorophenyl)-6-methylpyridine

C18H13BrClN — CID 57468750

IUPAC2-(3-bromophenyl)-4-(4-chlorophenyl)-6-methylpyridine
SMILESCc1cc(-c2ccc(Cl)cc2)cc(-c2cccc(Br)c2)n1
InChIInChI=1S/C18H13BrClN/c1-12-9-15(13-5-7-17(20)8-6-13)11-18(21-12)14-3-2-4-16(19)10-14/h2-11H,1H3
InChIKeyAFTOBQWUEWORJE-UHFFFAOYSA-N
MW358.67 g/mol
LogP6.14
Rot. Bonds2

About 2-(3-bromophenyl)-4-(4-chlorophenyl)-6-methylpyridine

2-(3-bromophenyl)-4-(4-chlorophenyl)-6-methylpyridine (PubChem CID 57468750) has the molecular formula C18H13BrClN and a molecular weight of 358.67 g/mol. Its IUPAC name is 2-(3-bromophenyl)-4-(4-chlorophenyl)-6-methylpyridine.

Molecular Properties

Compound Name2-(3-bromophenyl)-4-(4-chlorophenyl)-6-methylpyridine
PubChem CID57468750
Molecular FormulaC18H13BrClN
Molecular Weight358.67 g/mol
Exact Mass356.99
IUPAC Name2-(3-bromophenyl)-4-(4-chlorophenyl)-6-methylpyridine
SMILESCc1cc(-c2ccc(Cl)cc2)cc(-c2cccc(Br)c2)n1
InChIInChI=1S/C18H13BrClN/c1-12-9-15(13-5-7-17(20)8-6-13)11-18(21-12)14-3-2-4-16(19)10-14/h2-11H,1H3
InChIKeyAFTOBQWUEWORJE-UHFFFAOYSA-N
XLogP6.14
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.67
LogP ≤ 56.14
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-(4-chlorophenyl)-6-methylpyridine?
The IUPAC name of 2-(3-bromophenyl)-4-(4-chlorophenyl)-6-methylpyridine (CID 57468750) is 2-(3-bromophenyl)-4-(4-chlorophenyl)-6-methylpyridine.
What is the SMILES notation for 2-(3-bromophenyl)-4-(4-chlorophenyl)-6-methylpyridine?
The canonical SMILES for 2-(3-bromophenyl)-4-(4-chlorophenyl)-6-methylpyridine is Cc1cc(-c2ccc(Cl)cc2)cc(-c2cccc(Br)c2)n1.
What is the InChIKey of 2-(3-bromophenyl)-4-(4-chlorophenyl)-6-methylpyridine?
The InChIKey is AFTOBQWUEWORJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrClN/c1-12-9-15(13-5-7-17(20)8-6-13)11-18(21-12)14-3-2-4-16(19)10-14/h2-11H,1H3.
What are the key properties of 2-(3-bromophenyl)-4-(4-chlorophenyl)-6-methylpyridine?
2-(3-bromophenyl)-4-(4-chlorophenyl)-6-methylpyridine has a molecular weight of 358.67 g/mol, XLogP of 6.14, 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-(4-chlorophenyl)-6-methylpyridine is sourced from PubChem (CID 57468750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).