1-(2,2-dimethyl-6-oxidopyrano[3,2-c]pyridin-6-ium-4-yl)pyridin-2-one

C15H14N2O3 — CID 14755387

IUPAC1-(2,2-dimethyl-6-oxidopyrano[3,2-c]pyridin-6-ium-4-yl)pyridin-2-one
SMILESCC1(C)C=C(n2ccccc2=O)c2c[n+]([O-])ccc2O1
InChIInChI=1S/C15H14N2O3/c1-15(2)9-12(17-7-4-3-5-14(17)18)11-10-16(19)8-6-13(11)20-15/h3-10H,1-2H3
InChIKeyUXGWXDVGQCZFIJ-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.54
Rot. Bonds1

About 1-(2,2-dimethyl-6-oxidopyrano[3,2-c]pyridin-6-ium-4-yl)pyridin-2-one

1-(2,2-dimethyl-6-oxidopyrano[3,2-c]pyridin-6-ium-4-yl)pyridin-2-one (PubChem CID 14755387) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 1-(2,2-dimethyl-6-oxidopyrano[3,2-c]pyridin-6-ium-4-yl)pyridin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethyl-6-oxidopyrano[3,2-c]pyridin-6-ium-4-yl)pyridin-2-one
PubChem CID14755387
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name1-(2,2-dimethyl-6-oxidopyrano[3,2-c]pyridin-6-ium-4-yl)pyridin-2-one
SMILESCC1(C)C=C(n2ccccc2=O)c2c[n+]([O-])ccc2O1
InChIInChI=1S/C15H14N2O3/c1-15(2)9-12(17-7-4-3-5-14(17)18)11-10-16(19)8-6-13(11)20-15/h3-10H,1-2H3
InChIKeyUXGWXDVGQCZFIJ-UHFFFAOYSA-N
XLogP1.54
TPSA58.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1-(2,2-dimethyl-6-oxidopyrano[3,2-c]pyridin-6-ium-4-yl)pyridin-2-one?
The IUPAC name of 1-(2,2-dimethyl-6-oxidopyrano[3,2-c]pyridin-6-ium-4-yl)pyridin-2-one (CID 14755387) is 1-(2,2-dimethyl-6-oxidopyrano[3,2-c]pyridin-6-ium-4-yl)pyridin-2-one.
What is the SMILES notation for 1-(2,2-dimethyl-6-oxidopyrano[3,2-c]pyridin-6-ium-4-yl)pyridin-2-one?
The canonical SMILES for 1-(2,2-dimethyl-6-oxidopyrano[3,2-c]pyridin-6-ium-4-yl)pyridin-2-one is CC1(C)C=C(n2ccccc2=O)c2c[n+]([O-])ccc2O1.
What is the InChIKey of 1-(2,2-dimethyl-6-oxidopyrano[3,2-c]pyridin-6-ium-4-yl)pyridin-2-one?
The InChIKey is UXGWXDVGQCZFIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c1-15(2)9-12(17-7-4-3-5-14(17)18)11-10-16(19)8-6-13(11)20-15/h3-10H,1-2H3.
What are the key properties of 1-(2,2-dimethyl-6-oxidopyrano[3,2-c]pyridin-6-ium-4-yl)pyridin-2-one?
1-(2,2-dimethyl-6-oxidopyrano[3,2-c]pyridin-6-ium-4-yl)pyridin-2-one has a molecular weight of 270.29 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-6-oxidopyrano[3,2-c]pyridin-6-ium-4-yl)pyridin-2-one is sourced from PubChem (CID 14755387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).