1-(4-bromophenyl)-2,4,6-trimethylpyridin-1-ium;perchloric acid

C14H16BrClNO4+ — CID 126957082

IUPAC1-(4-bromophenyl)-2,4,6-trimethylpyridin-1-ium;perchloric acid
SMILESCc1cc(C)[n+](-c2ccc(Br)cc2)c(C)c1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C14H15BrN.ClHO4/c1-10-8-11(2)16(12(3)9-10)14-6-4-13(15)5-7-14;2-1(3,4)5/h4-9H,1-3H3;(H,2,3,4,5)/q+1;
InChIKeyYMZDRFUFZVASSQ-UHFFFAOYSA-N
MW377.64 g/mol
LogP-0.47
Rot. Bonds1

About 1-(4-bromophenyl)-2,4,6-trimethylpyridin-1-ium;perchloric acid

1-(4-bromophenyl)-2,4,6-trimethylpyridin-1-ium;perchloric acid (PubChem CID 126957082) has the molecular formula C14H16BrClNO4+ and a molecular weight of 377.64 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2,4,6-trimethylpyridin-1-ium;perchloric acid.

Molecular Properties

Compound Name1-(4-bromophenyl)-2,4,6-trimethylpyridin-1-ium;perchloric acid
PubChem CID126957082
Molecular FormulaC14H16BrClNO4+
Molecular Weight377.64 g/mol
Exact Mass375.99
IUPAC Name1-(4-bromophenyl)-2,4,6-trimethylpyridin-1-ium;perchloric acid
SMILESCc1cc(C)[n+](-c2ccc(Br)cc2)c(C)c1.[O-][Cl+3]([O-])([O-])O
InChIInChI=1S/C14H15BrN.ClHO4/c1-10-8-11(2)16(12(3)9-10)14-6-4-13(15)5-7-14;2-1(3,4)5/h4-9H,1-3H3;(H,2,3,4,5)/q+1;
InChIKeyYMZDRFUFZVASSQ-UHFFFAOYSA-N
XLogP-0.47
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.64
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Pyrrole, 1-(p-bromophenyl)-2-methyl-5-phenyl-
CID 122758
2-Bromo-6-phenylpyridine
CID 568679
(NE)-N-[[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]hydroxylamine
CID 6897005
1-(4-Bromophenyl)-2,4,6-triphenylpyridin-1-ium perchlorate
CID 12434472
Pyridinium, 2-bromo-1-(((4-(dimethylamino)phenyl)methylene)amino)-6-methyl-, perchlorate
CID 9589005
3-Bromo-2,4,6-trimethylpyridine
CID 25136843
2-Bromo-4-(4-fluorophenyl)-6-methylpyridine
CID 83661899
3-Bromo-2,6-dimethyl-5-phenylpyridine
CID 134973679
4-Bromo-2,6-dimethyl-3-phenylpyridine
CID 134973800
2,4-Dibromo-6-phenylpyridine
CID 142728327
1-(4-Bromophenyl)-2,4,6-triphenylpyridin-1-ium;perchlorate
CID 4554826
2-[(Z)-2-(3-bromophenyl)-2-fluoroethenyl]-6-methylpyridine
CID 11185428

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2,4,6-trimethylpyridin-1-ium;perchloric acid?
The IUPAC name of 1-(4-bromophenyl)-2,4,6-trimethylpyridin-1-ium;perchloric acid (CID 126957082) is 1-(4-bromophenyl)-2,4,6-trimethylpyridin-1-ium;perchloric acid.
What is the SMILES notation for 1-(4-bromophenyl)-2,4,6-trimethylpyridin-1-ium;perchloric acid?
The canonical SMILES for 1-(4-bromophenyl)-2,4,6-trimethylpyridin-1-ium;perchloric acid is Cc1cc(C)[n+](-c2ccc(Br)cc2)c(C)c1.[O-][Cl+3]([O-])([O-])O.
What is the InChIKey of 1-(4-bromophenyl)-2,4,6-trimethylpyridin-1-ium;perchloric acid?
The InChIKey is YMZDRFUFZVASSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN.ClHO4/c1-10-8-11(2)16(12(3)9-10)14-6-4-13(15)5-7-14;2-1(3,4)5/h4-9H,1-3H3;(H,2,3,4,5)/q+1;.
What are the key properties of 1-(4-bromophenyl)-2,4,6-trimethylpyridin-1-ium;perchloric acid?
1-(4-bromophenyl)-2,4,6-trimethylpyridin-1-ium;perchloric acid has a molecular weight of 377.64 g/mol, XLogP of -0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2,4,6-trimethylpyridin-1-ium;perchloric acid is sourced from PubChem (CID 126957082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).