2,6-dibromo-4-methoxy-1-methylpyridin-1-ium

C7H8Br2NO+ — CID 170368182

IUPAC2,6-dibromo-4-methoxy-1-methylpyridin-1-ium
SMILESCOc1cc(Br)[n+](C)c(Br)c1
InChIInChI=1S/C7H8Br2NO/c1-10-6(8)3-5(11-2)4-7(10)9/h3-4H,1-2H3/q+1
InChIKeyDQVXNBVBKISVBV-UHFFFAOYSA-N
MW281.96 g/mol
LogP2.04
Rot. Bonds1

About 2,6-dibromo-4-methoxy-1-methylpyridin-1-ium

2,6-dibromo-4-methoxy-1-methylpyridin-1-ium (PubChem CID 170368182) has the molecular formula C7H8Br2NO+ and a molecular weight of 281.96 g/mol. Its IUPAC name is 2,6-dibromo-4-methoxy-1-methylpyridin-1-ium.

Molecular Properties

Compound Name2,6-dibromo-4-methoxy-1-methylpyridin-1-ium
PubChem CID170368182
Molecular FormulaC7H8Br2NO+
Molecular Weight281.96 g/mol
Exact Mass279.90
IUPAC Name2,6-dibromo-4-methoxy-1-methylpyridin-1-ium
SMILESCOc1cc(Br)[n+](C)c(Br)c1
InChIInChI=1S/C7H8Br2NO/c1-10-6(8)3-5(11-2)4-7(10)9/h3-4H,1-2H3/q+1
InChIKeyDQVXNBVBKISVBV-UHFFFAOYSA-N
XLogP2.04
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.96
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

phosphane;1,3,5-trimethoxybenzene
CID 175232895
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CID 10901569
(3-bromo-5-methoxyphenyl)borane
CID 88897767
(1R)-1-(3-bromo-5-methoxyphenyl)ethanamine
CID 130632981
1-(2-bromo-4,6-dimethoxyphenyl)ethanol
CID 84710416
1-bromo-3-(isocyanomethyl)-5-methoxybenzene
CID 164810568
2,7-dimethoxypyrene-4,5,9,10-tetrone
CID 153364564
1,3-dimethoxy-5-methylbenzene;methane
CID 142906999
1-methoxy-3,5-dimethylbenzene;sulfane
CID 175727345
(3,5-dimethoxyphenyl)phosphane
CID 23215298
bromozinc(1+);1,3-dimethoxy-5-methylbenzene-6-ide
CID 133144550

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-4-methoxy-1-methylpyridin-1-ium?
The IUPAC name of 2,6-dibromo-4-methoxy-1-methylpyridin-1-ium (CID 170368182) is 2,6-dibromo-4-methoxy-1-methylpyridin-1-ium.
What is the SMILES notation for 2,6-dibromo-4-methoxy-1-methylpyridin-1-ium?
The canonical SMILES for 2,6-dibromo-4-methoxy-1-methylpyridin-1-ium is COc1cc(Br)[n+](C)c(Br)c1.
What is the InChIKey of 2,6-dibromo-4-methoxy-1-methylpyridin-1-ium?
The InChIKey is DQVXNBVBKISVBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Br2NO/c1-10-6(8)3-5(11-2)4-7(10)9/h3-4H,1-2H3/q+1.
What are the key properties of 2,6-dibromo-4-methoxy-1-methylpyridin-1-ium?
2,6-dibromo-4-methoxy-1-methylpyridin-1-ium has a molecular weight of 281.96 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-4-methoxy-1-methylpyridin-1-ium is sourced from PubChem (CID 170368182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).