(6-methoxy-1-oxidopyridin-1-ium-3-yl)-(3,4,5-trimethoxyphenyl)diazene

C15H17N3O5 — CID 118484581

IUPAC(6-methoxy-1-oxidopyridin-1-ium-3-yl)-(3,4,5-trimethoxyphenyl)diazene
SMILESCOc1cc(/N=N/c2ccc(OC)[n+]([O-])c2)cc(OC)c1OC
InChIInChI=1S/C15H17N3O5/c1-20-12-7-11(8-13(21-2)15(12)23-4)17-16-10-5-6-14(22-3)18(19)9-10/h5-9H,1-4H3/b17-16+
InChIKeyCCCXCMRGHQNQTO-WUKNDPDISA-N
MW319.32 g/mol
LogP2.77
Rot. Bonds6

About (6-methoxy-1-oxidopyridin-1-ium-3-yl)-(3,4,5-trimethoxyphenyl)diazene

(6-methoxy-1-oxidopyridin-1-ium-3-yl)-(3,4,5-trimethoxyphenyl)diazene (PubChem CID 118484581) has the molecular formula C15H17N3O5 and a molecular weight of 319.32 g/mol. Its IUPAC name is (6-methoxy-1-oxidopyridin-1-ium-3-yl)-(3,4,5-trimethoxyphenyl)diazene.

Molecular Properties

Compound Name(6-methoxy-1-oxidopyridin-1-ium-3-yl)-(3,4,5-trimethoxyphenyl)diazene
PubChem CID118484581
Molecular FormulaC15H17N3O5
Molecular Weight319.32 g/mol
Exact Mass319.12
IUPAC Name(6-methoxy-1-oxidopyridin-1-ium-3-yl)-(3,4,5-trimethoxyphenyl)diazene
SMILESCOc1cc(/N=N/c2ccc(OC)[n+]([O-])c2)cc(OC)c1OC
InChIInChI=1S/C15H17N3O5/c1-20-12-7-11(8-13(21-2)15(12)23-4)17-16-10-5-6-14(22-3)18(19)9-10/h5-9H,1-4H3/b17-16+
InChIKeyCCCXCMRGHQNQTO-WUKNDPDISA-N
XLogP2.77
TPSA88.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'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 (6-methoxy-1-oxidopyridin-1-ium-3-yl)-(3,4,5-trimethoxyphenyl)diazene?
The IUPAC name of (6-methoxy-1-oxidopyridin-1-ium-3-yl)-(3,4,5-trimethoxyphenyl)diazene (CID 118484581) is (6-methoxy-1-oxidopyridin-1-ium-3-yl)-(3,4,5-trimethoxyphenyl)diazene.
What is the SMILES notation for (6-methoxy-1-oxidopyridin-1-ium-3-yl)-(3,4,5-trimethoxyphenyl)diazene?
The canonical SMILES for (6-methoxy-1-oxidopyridin-1-ium-3-yl)-(3,4,5-trimethoxyphenyl)diazene is COc1cc(/N=N/c2ccc(OC)[n+]([O-])c2)cc(OC)c1OC.
What is the InChIKey of (6-methoxy-1-oxidopyridin-1-ium-3-yl)-(3,4,5-trimethoxyphenyl)diazene?
The InChIKey is CCCXCMRGHQNQTO-WUKNDPDISA-N. The full InChI is InChI=1S/C15H17N3O5/c1-20-12-7-11(8-13(21-2)15(12)23-4)17-16-10-5-6-14(22-3)18(19)9-10/h5-9H,1-4H3/b17-16+.
What are the key properties of (6-methoxy-1-oxidopyridin-1-ium-3-yl)-(3,4,5-trimethoxyphenyl)diazene?
(6-methoxy-1-oxidopyridin-1-ium-3-yl)-(3,4,5-trimethoxyphenyl)diazene has a molecular weight of 319.32 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-1-oxidopyridin-1-ium-3-yl)-(3,4,5-trimethoxyphenyl)diazene is sourced from PubChem (CID 118484581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).