1,2,3-trimethylpyridin-1-ium;hydrobromide

C8H13BrN+ — CID 18985420

IUPAC1,2,3-trimethylpyridin-1-ium;hydrobromide
SMILESBr.Cc1ccc[n+](C)c1C
InChIInChI=1S/C8H12N.BrH/c1-7-5-4-6-9(3)8(7)2;/h4-6H,1-3H3;1H/q+1;
InChIKeyBAUHCOVJMSUSOW-UHFFFAOYSA-N
MW203.10 g/mol
LogP1.71
Rot. Bonds

About 1,2,3-trimethylpyridin-1-ium;hydrobromide

1,2,3-trimethylpyridin-1-ium;hydrobromide (PubChem CID 18985420) has the molecular formula C8H13BrN+ and a molecular weight of 203.10 g/mol. Its IUPAC name is 1,2,3-trimethylpyridin-1-ium;hydrobromide.

Molecular Properties

Compound Name1,2,3-trimethylpyridin-1-ium;hydrobromide
PubChem CID18985420
Molecular FormulaC8H13BrN+
Molecular Weight203.10 g/mol
Exact Mass202.02
IUPAC Name1,2,3-trimethylpyridin-1-ium;hydrobromide
SMILESBr.Cc1ccc[n+](C)c1C
InChIInChI=1S/C8H12N.BrH/c1-7-5-4-6-9(3)8(7)2;/h4-6H,1-3H3;1H/q+1;
InChIKeyBAUHCOVJMSUSOW-UHFFFAOYSA-N
XLogP1.71
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.10
LogP ≤ 51.71
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 1,2,3-trimethylpyridin-1-ium;hydrobromide?
The IUPAC name of 1,2,3-trimethylpyridin-1-ium;hydrobromide (CID 18985420) is 1,2,3-trimethylpyridin-1-ium;hydrobromide.
What is the SMILES notation for 1,2,3-trimethylpyridin-1-ium;hydrobromide?
The canonical SMILES for 1,2,3-trimethylpyridin-1-ium;hydrobromide is Br.Cc1ccc[n+](C)c1C.
What is the InChIKey of 1,2,3-trimethylpyridin-1-ium;hydrobromide?
The InChIKey is BAUHCOVJMSUSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N.BrH/c1-7-5-4-6-9(3)8(7)2;/h4-6H,1-3H3;1H/q+1;.
What are the key properties of 1,2,3-trimethylpyridin-1-ium;hydrobromide?
1,2,3-trimethylpyridin-1-ium;hydrobromide has a molecular weight of 203.10 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trimethylpyridin-1-ium;hydrobromide is sourced from PubChem (CID 18985420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).