1-ethyl-2-methylpyridin-1-ium bromide

C8H12BrN — CID 12640647

IUPAC1-ethyl-2-methylpyridin-1-ium bromide
SMILESCC[n+]1ccccc1C.[Br-]
InChIInChI=1S/C8H12N.BrH/c1-3-9-7-5-4-6-8(9)2;/h4-7H,3H2,1-2H3;1H/q+1;/p-1
InChIKeyQTXZDFXPUPKBJC-UHFFFAOYSA-M
MW202.10 g/mol
LogP-1.69
Rot. Bonds1

About 1-ethyl-2-methylpyridin-1-ium bromide

1-ethyl-2-methylpyridin-1-ium bromide (PubChem CID 12640647) has the molecular formula C8H12BrN and a molecular weight of 202.10 g/mol. Its IUPAC name is 1-ethyl-2-methylpyridin-1-ium bromide.

Molecular Properties

Compound Name1-ethyl-2-methylpyridin-1-ium bromide
PubChem CID12640647
Molecular FormulaC8H12BrN
Molecular Weight202.10 g/mol
Exact Mass201.02
IUPAC Name1-ethyl-2-methylpyridin-1-ium bromide
SMILESCC[n+]1ccccc1C.[Br-]
InChIInChI=1S/C8H12N.BrH/c1-3-9-7-5-4-6-8(9)2;/h4-7H,3H2,1-2H3;1H/q+1;/p-1
InChIKeyQTXZDFXPUPKBJC-UHFFFAOYSA-M
XLogP-1.69
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.10
LogP ≤ 5-1.69
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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Related Compounds

Pyridine
CID 1049
Cetylpyridinium Chloride
CID 31239
3-Methylpyridine
CID 7970
4-Methylpyridine
CID 7963
2,2'-Bipyridine
CID 1474
Pralidoxime Chloride
CID 135445761
Cetylpyridinium Bromide
CID 8816
Diquat Dibromide
CID 6794
Diquat
CID 6795
2,6-Lutidine
CID 7937
2-Methylpyridine
CID 7975
Myosmine
CID 442649

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methylpyridin-1-ium bromide?
The IUPAC name of 1-ethyl-2-methylpyridin-1-ium bromide (CID 12640647) is 1-ethyl-2-methylpyridin-1-ium bromide.
What is the SMILES notation for 1-ethyl-2-methylpyridin-1-ium bromide?
The canonical SMILES for 1-ethyl-2-methylpyridin-1-ium bromide is CC[n+]1ccccc1C.[Br-].
What is the InChIKey of 1-ethyl-2-methylpyridin-1-ium bromide?
The InChIKey is QTXZDFXPUPKBJC-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H12N.BrH/c1-3-9-7-5-4-6-8(9)2;/h4-7H,3H2,1-2H3;1H/q+1;/p-1.
What are the key properties of 1-ethyl-2-methylpyridin-1-ium bromide?
1-ethyl-2-methylpyridin-1-ium bromide has a molecular weight of 202.10 g/mol, XLogP of -1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methylpyridin-1-ium bromide is sourced from PubChem (CID 12640647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).