2,4-dimethyl-1-oxidopyridin-1-ium-3-amine

C7H10N2O — CID 119085143

IUPAC2,4-dimethyl-1-oxidopyridin-1-ium-3-amine
SMILESCc1cc[n+]([O-])c(C)c1N
InChIInChI=1S/C7H10N2O/c1-5-3-4-9(10)6(2)7(5)8/h3-4H,8H2,1-2H3
InChIKeyWAFOAAVXBGZAPT-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.52
Rot. Bonds

About 2,4-dimethyl-1-oxidopyridin-1-ium-3-amine

2,4-dimethyl-1-oxidopyridin-1-ium-3-amine (PubChem CID 119085143) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 2,4-dimethyl-1-oxidopyridin-1-ium-3-amine.

Molecular Properties

Compound Name2,4-dimethyl-1-oxidopyridin-1-ium-3-amine
PubChem CID119085143
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name2,4-dimethyl-1-oxidopyridin-1-ium-3-amine
SMILESCc1cc[n+]([O-])c(C)c1N
InChIInChI=1S/C7H10N2O/c1-5-3-4-9(10)6(2)7(5)8/h3-4H,8H2,1-2H3
InChIKeyWAFOAAVXBGZAPT-UHFFFAOYSA-N
XLogP0.52
TPSA52.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.52
H-Bond Donors ≤ 51
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 2,4-dimethyl-1-oxidopyridin-1-ium-3-amine?
The IUPAC name of 2,4-dimethyl-1-oxidopyridin-1-ium-3-amine (CID 119085143) is 2,4-dimethyl-1-oxidopyridin-1-ium-3-amine.
What is the SMILES notation for 2,4-dimethyl-1-oxidopyridin-1-ium-3-amine?
The canonical SMILES for 2,4-dimethyl-1-oxidopyridin-1-ium-3-amine is Cc1cc[n+]([O-])c(C)c1N.
What is the InChIKey of 2,4-dimethyl-1-oxidopyridin-1-ium-3-amine?
The InChIKey is WAFOAAVXBGZAPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-5-3-4-9(10)6(2)7(5)8/h3-4H,8H2,1-2H3.
What are the key properties of 2,4-dimethyl-1-oxidopyridin-1-ium-3-amine?
2,4-dimethyl-1-oxidopyridin-1-ium-3-amine has a molecular weight of 138.17 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-oxidopyridin-1-ium-3-amine is sourced from PubChem (CID 119085143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).