5-methoxy-1,2-dimethylpyridin-1-ium

C8H12NO+ — CID 100989788

IUPAC5-methoxy-1,2-dimethylpyridin-1-ium
SMILESCOc1ccc(C)[n+](C)c1
InChIInChI=1S/C8H12NO/c1-7-4-5-8(10-3)6-9(7)2/h4-6H,1-3H3/q+1
InChIKeyKLOWZNZLAJJGHD-UHFFFAOYSA-N
MW138.19 g/mol
LogP0.83
Rot. Bonds1

About 5-methoxy-1,2-dimethylpyridin-1-ium

5-methoxy-1,2-dimethylpyridin-1-ium (PubChem CID 100989788) has the molecular formula C8H12NO+ and a molecular weight of 138.19 g/mol. Its IUPAC name is 5-methoxy-1,2-dimethylpyridin-1-ium.

Molecular Properties

Compound Name5-methoxy-1,2-dimethylpyridin-1-ium
PubChem CID100989788
Molecular FormulaC8H12NO+
Molecular Weight138.19 g/mol
Exact Mass138.09
IUPAC Name5-methoxy-1,2-dimethylpyridin-1-ium
SMILESCOc1ccc(C)[n+](C)c1
InChIInChI=1S/C8H12NO/c1-7-4-5-8(10-3)6-9(7)2/h4-6H,1-3H3/q+1
InChIKeyKLOWZNZLAJJGHD-UHFFFAOYSA-N
XLogP0.83
TPSA13.11 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.19
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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5-ethyl-1-methoxy-2-methylpyridin-1-ium
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1-[(Z)-1,2-bis(4-methoxyphenyl)-2-(4-methylphenyl)ethenyl]-4-methylbenzene
CID 58362282
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CID 12714057
CID 12714057

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1,2-dimethylpyridin-1-ium?
The IUPAC name of 5-methoxy-1,2-dimethylpyridin-1-ium (CID 100989788) is 5-methoxy-1,2-dimethylpyridin-1-ium.
What is the SMILES notation for 5-methoxy-1,2-dimethylpyridin-1-ium?
The canonical SMILES for 5-methoxy-1,2-dimethylpyridin-1-ium is COc1ccc(C)[n+](C)c1.
What is the InChIKey of 5-methoxy-1,2-dimethylpyridin-1-ium?
The InChIKey is KLOWZNZLAJJGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12NO/c1-7-4-5-8(10-3)6-9(7)2/h4-6H,1-3H3/q+1.
What are the key properties of 5-methoxy-1,2-dimethylpyridin-1-ium?
5-methoxy-1,2-dimethylpyridin-1-ium has a molecular weight of 138.19 g/mol, XLogP of 0.83, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1,2-dimethylpyridin-1-ium is sourced from PubChem (CID 100989788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).