6-methoxy-2-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-1-ol

C17H15N3O2 — CID 136666163

IUPAC6-methoxy-2-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-1-ol
SMILESCOc1ccc2c(O)c(/N=N/c3cc(C)ccn3)ccc2c1
InChIInChI=1S/C17H15N3O2/c1-11-7-8-18-16(9-11)20-19-15-6-3-12-10-13(22-2)4-5-14(12)17(15)21/h3-10,21H,1-2H3/b20-19+
InChIKeyKQTAHPSUSYXILH-FMQUCBEESA-N
MW293.33 g/mol
LogP4.67
Rot. Bonds3

About 6-methoxy-2-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-1-ol

6-methoxy-2-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-1-ol (PubChem CID 136666163) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 6-methoxy-2-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-1-ol.

Molecular Properties

Compound Name6-methoxy-2-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-1-ol
PubChem CID136666163
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name6-methoxy-2-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-1-ol
SMILESCOc1ccc2c(O)c(/N=N/c3cc(C)ccn3)ccc2c1
InChIInChI=1S/C17H15N3O2/c1-11-7-8-18-16(9-11)20-19-15-6-3-12-10-13(22-2)4-5-14(12)17(15)21/h3-10,21H,1-2H3/b20-19+
InChIKeyKQTAHPSUSYXILH-FMQUCBEESA-N
XLogP4.67
TPSA67.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-methoxy-2-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-1-ol?
The IUPAC name of 6-methoxy-2-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-1-ol (CID 136666163) is 6-methoxy-2-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-1-ol.
What is the SMILES notation for 6-methoxy-2-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-1-ol?
The canonical SMILES for 6-methoxy-2-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-1-ol is COc1ccc2c(O)c(/N=N/c3cc(C)ccn3)ccc2c1.
What is the InChIKey of 6-methoxy-2-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-1-ol?
The InChIKey is KQTAHPSUSYXILH-FMQUCBEESA-N. The full InChI is InChI=1S/C17H15N3O2/c1-11-7-8-18-16(9-11)20-19-15-6-3-12-10-13(22-2)4-5-14(12)17(15)21/h3-10,21H,1-2H3/b20-19+.
What are the key properties of 6-methoxy-2-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-1-ol?
6-methoxy-2-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-1-ol has a molecular weight of 293.33 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-[(4-methyl-2-pyridinyl)diazenyl]naphthalen-1-ol is sourced from PubChem (CID 136666163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).