2,6-dimethoxy-4-[(6-methoxy-3-pyridinyl)diazenyl]phenol

C14H15N3O4 — CID 136991166

IUPAC2,6-dimethoxy-4-[(6-methoxy-3-pyridinyl)diazenyl]phenol
SMILESCOc1ccc(/N=N/c2cc(OC)c(O)c(OC)c2)cn1
InChIInChI=1S/C14H15N3O4/c1-19-11-6-10(7-12(20-2)14(11)18)17-16-9-4-5-13(21-3)15-8-9/h4-8,18H,1-3H3/b17-16+
InChIKeyADPDUAZVGFBZFZ-WUKNDPDISA-N
MW289.29 g/mol
LogP3.23
Rot. Bonds5

About 2,6-dimethoxy-4-[(6-methoxy-3-pyridinyl)diazenyl]phenol

2,6-dimethoxy-4-[(6-methoxy-3-pyridinyl)diazenyl]phenol (PubChem CID 136991166) has the molecular formula C14H15N3O4 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2,6-dimethoxy-4-[(6-methoxy-3-pyridinyl)diazenyl]phenol.

Molecular Properties

Compound Name2,6-dimethoxy-4-[(6-methoxy-3-pyridinyl)diazenyl]phenol
PubChem CID136991166
Molecular FormulaC14H15N3O4
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name2,6-dimethoxy-4-[(6-methoxy-3-pyridinyl)diazenyl]phenol
SMILESCOc1ccc(/N=N/c2cc(OC)c(O)c(OC)c2)cn1
InChIInChI=1S/C14H15N3O4/c1-19-11-6-10(7-12(20-2)14(11)18)17-16-9-4-5-13(21-3)15-8-9/h4-8,18H,1-3H3/b17-16+
InChIKeyADPDUAZVGFBZFZ-WUKNDPDISA-N
XLogP3.23
TPSA85.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-4-[(6-methoxy-3-pyridinyl)diazenyl]phenol?
The IUPAC name of 2,6-dimethoxy-4-[(6-methoxy-3-pyridinyl)diazenyl]phenol (CID 136991166) is 2,6-dimethoxy-4-[(6-methoxy-3-pyridinyl)diazenyl]phenol.
What is the SMILES notation for 2,6-dimethoxy-4-[(6-methoxy-3-pyridinyl)diazenyl]phenol?
The canonical SMILES for 2,6-dimethoxy-4-[(6-methoxy-3-pyridinyl)diazenyl]phenol is COc1ccc(/N=N/c2cc(OC)c(O)c(OC)c2)cn1.
What is the InChIKey of 2,6-dimethoxy-4-[(6-methoxy-3-pyridinyl)diazenyl]phenol?
The InChIKey is ADPDUAZVGFBZFZ-WUKNDPDISA-N. The full InChI is InChI=1S/C14H15N3O4/c1-19-11-6-10(7-12(20-2)14(11)18)17-16-9-4-5-13(21-3)15-8-9/h4-8,18H,1-3H3/b17-16+.
What are the key properties of 2,6-dimethoxy-4-[(6-methoxy-3-pyridinyl)diazenyl]phenol?
2,6-dimethoxy-4-[(6-methoxy-3-pyridinyl)diazenyl]phenol has a molecular weight of 289.29 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-4-[(6-methoxy-3-pyridinyl)diazenyl]phenol is sourced from PubChem (CID 136991166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).