2-methyl-6-[(2-methylsulfanylphenyl)diazenyl]pyridin-3-ol

C13H13N3OS — CID 136666160

IUPAC2-methyl-6-[(2-methylsulfanylphenyl)diazenyl]pyridin-3-ol
SMILESCSc1ccccc1/N=N/c1ccc(O)c(C)n1
InChIInChI=1S/C13H13N3OS/c1-9-11(17)7-8-13(14-9)16-15-10-5-3-4-6-12(10)18-2/h3-8,17H,1-2H3/b16-15+
InChIKeyPAPURXMJSJTEGM-FOCLMDBBSA-N
MW259.33 g/mol
LogP4.23
Rot. Bonds3

About 2-methyl-6-[(2-methylsulfanylphenyl)diazenyl]pyridin-3-ol

2-methyl-6-[(2-methylsulfanylphenyl)diazenyl]pyridin-3-ol (PubChem CID 136666160) has the molecular formula C13H13N3OS and a molecular weight of 259.33 g/mol. Its IUPAC name is 2-methyl-6-[(2-methylsulfanylphenyl)diazenyl]pyridin-3-ol.

Molecular Properties

Compound Name2-methyl-6-[(2-methylsulfanylphenyl)diazenyl]pyridin-3-ol
PubChem CID136666160
Molecular FormulaC13H13N3OS
Molecular Weight259.33 g/mol
Exact Mass259.08
IUPAC Name2-methyl-6-[(2-methylsulfanylphenyl)diazenyl]pyridin-3-ol
SMILESCSc1ccccc1/N=N/c1ccc(O)c(C)n1
InChIInChI=1S/C13H13N3OS/c1-9-11(17)7-8-13(14-9)16-15-10-5-3-4-6-12(10)18-2/h3-8,17H,1-2H3/b16-15+
InChIKeyPAPURXMJSJTEGM-FOCLMDBBSA-N
XLogP4.23
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 54.23
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 2-methyl-6-[(2-methylsulfanylphenyl)diazenyl]pyridin-3-ol?
The IUPAC name of 2-methyl-6-[(2-methylsulfanylphenyl)diazenyl]pyridin-3-ol (CID 136666160) is 2-methyl-6-[(2-methylsulfanylphenyl)diazenyl]pyridin-3-ol.
What is the SMILES notation for 2-methyl-6-[(2-methylsulfanylphenyl)diazenyl]pyridin-3-ol?
The canonical SMILES for 2-methyl-6-[(2-methylsulfanylphenyl)diazenyl]pyridin-3-ol is CSc1ccccc1/N=N/c1ccc(O)c(C)n1.
What is the InChIKey of 2-methyl-6-[(2-methylsulfanylphenyl)diazenyl]pyridin-3-ol?
The InChIKey is PAPURXMJSJTEGM-FOCLMDBBSA-N. The full InChI is InChI=1S/C13H13N3OS/c1-9-11(17)7-8-13(14-9)16-15-10-5-3-4-6-12(10)18-2/h3-8,17H,1-2H3/b16-15+.
What are the key properties of 2-methyl-6-[(2-methylsulfanylphenyl)diazenyl]pyridin-3-ol?
2-methyl-6-[(2-methylsulfanylphenyl)diazenyl]pyridin-3-ol has a molecular weight of 259.33 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(2-methylsulfanylphenyl)diazenyl]pyridin-3-ol is sourced from PubChem (CID 136666160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).