4-methoxy-2,6-dimethyl-1-oxidopyridin-1-ium

C8H11NO2 — CID 2751820

IUPAC4-methoxy-2,6-dimethyl-1-oxidopyridin-1-ium
SMILESCOc1cc(C)[n+]([O-])c(C)c1
InChIInChI=1S/C8H11NO2/c1-6-4-8(11-3)5-7(2)9(6)10/h4-5H,1-3H3
InChIKeyCMQDTHWXQUKRKA-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.95
Rot. Bonds1

About 4-methoxy-2,6-dimethyl-1-oxidopyridin-1-ium

4-methoxy-2,6-dimethyl-1-oxidopyridin-1-ium (PubChem CID 2751820) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is 4-methoxy-2,6-dimethyl-1-oxidopyridin-1-ium.

Molecular Properties

Compound Name4-methoxy-2,6-dimethyl-1-oxidopyridin-1-ium
PubChem CID2751820
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Name4-methoxy-2,6-dimethyl-1-oxidopyridin-1-ium
SMILESCOc1cc(C)[n+]([O-])c(C)c1
InChIInChI=1S/C8H11NO2/c1-6-4-8(11-3)5-7(2)9(6)10/h4-5H,1-3H3
InChIKeyCMQDTHWXQUKRKA-UHFFFAOYSA-N
XLogP0.95
TPSA36.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2,6-dimethyl-1-oxidopyridin-1-ium?
The IUPAC name of 4-methoxy-2,6-dimethyl-1-oxidopyridin-1-ium (CID 2751820) is 4-methoxy-2,6-dimethyl-1-oxidopyridin-1-ium.
What is the SMILES notation for 4-methoxy-2,6-dimethyl-1-oxidopyridin-1-ium?
The canonical SMILES for 4-methoxy-2,6-dimethyl-1-oxidopyridin-1-ium is COc1cc(C)[n+]([O-])c(C)c1.
What is the InChIKey of 4-methoxy-2,6-dimethyl-1-oxidopyridin-1-ium?
The InChIKey is CMQDTHWXQUKRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-6-4-8(11-3)5-7(2)9(6)10/h4-5H,1-3H3.
What are the key properties of 4-methoxy-2,6-dimethyl-1-oxidopyridin-1-ium?
4-methoxy-2,6-dimethyl-1-oxidopyridin-1-ium has a molecular weight of 153.18 g/mol, XLogP of 0.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2,6-dimethyl-1-oxidopyridin-1-ium is sourced from PubChem (CID 2751820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).