2-(4-bromophenyl)-4-(4-chlorophenyl)-1,6-dimethylpyridin-1-ium

C19H16BrClN+ — CID 154594136

IUPAC2-(4-bromophenyl)-4-(4-chlorophenyl)-1,6-dimethylpyridin-1-ium
SMILESCc1cc(-c2ccc(Cl)cc2)cc(-c2ccc(Br)cc2)[n+]1C
InChIInChI=1S/C19H16BrClN/c1-13-11-16(14-5-9-18(21)10-6-14)12-19(22(13)2)15-3-7-17(20)8-4-15/h3-12H,1-2H3/q+1
InChIKeyAPTFHSIBUBBJAZ-UHFFFAOYSA-N
MW373.70 g/mol
LogP5.57
Rot. Bonds2

About 2-(4-bromophenyl)-4-(4-chlorophenyl)-1,6-dimethylpyridin-1-ium

2-(4-bromophenyl)-4-(4-chlorophenyl)-1,6-dimethylpyridin-1-ium (PubChem CID 154594136) has the molecular formula C19H16BrClN+ and a molecular weight of 373.70 g/mol. Its IUPAC name is 2-(4-bromophenyl)-4-(4-chlorophenyl)-1,6-dimethylpyridin-1-ium.

Molecular Properties

Compound Name2-(4-bromophenyl)-4-(4-chlorophenyl)-1,6-dimethylpyridin-1-ium
PubChem CID154594136
Molecular FormulaC19H16BrClN+
Molecular Weight373.70 g/mol
Exact Mass372.01
IUPAC Name2-(4-bromophenyl)-4-(4-chlorophenyl)-1,6-dimethylpyridin-1-ium
SMILESCc1cc(-c2ccc(Cl)cc2)cc(-c2ccc(Br)cc2)[n+]1C
InChIInChI=1S/C19H16BrClN/c1-13-11-16(14-5-9-18(21)10-6-14)12-19(22(13)2)15-3-7-17(20)8-4-15/h3-12H,1-2H3/q+1
InChIKeyAPTFHSIBUBBJAZ-UHFFFAOYSA-N
XLogP5.57
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.70
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-4-(4-chlorophenyl)-1,6-dimethylpyridin-1-ium?
The IUPAC name of 2-(4-bromophenyl)-4-(4-chlorophenyl)-1,6-dimethylpyridin-1-ium (CID 154594136) is 2-(4-bromophenyl)-4-(4-chlorophenyl)-1,6-dimethylpyridin-1-ium.
What is the SMILES notation for 2-(4-bromophenyl)-4-(4-chlorophenyl)-1,6-dimethylpyridin-1-ium?
The canonical SMILES for 2-(4-bromophenyl)-4-(4-chlorophenyl)-1,6-dimethylpyridin-1-ium is Cc1cc(-c2ccc(Cl)cc2)cc(-c2ccc(Br)cc2)[n+]1C.
What is the InChIKey of 2-(4-bromophenyl)-4-(4-chlorophenyl)-1,6-dimethylpyridin-1-ium?
The InChIKey is APTFHSIBUBBJAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrClN/c1-13-11-16(14-5-9-18(21)10-6-14)12-19(22(13)2)15-3-7-17(20)8-4-15/h3-12H,1-2H3/q+1.
What are the key properties of 2-(4-bromophenyl)-4-(4-chlorophenyl)-1,6-dimethylpyridin-1-ium?
2-(4-bromophenyl)-4-(4-chlorophenyl)-1,6-dimethylpyridin-1-ium has a molecular weight of 373.70 g/mol, XLogP of 5.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-4-(4-chlorophenyl)-1,6-dimethylpyridin-1-ium is sourced from PubChem (CID 154594136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).