3,4-dimethyl-2-(pyridin-2-yldiazenyl)phenol

C13H13N3O — CID 578612

IUPAC3,4-dimethyl-2-(pyridin-2-yldiazenyl)phenol
SMILESCc1ccc(O)c(/N=N/c2ccccn2)c1C
InChIInChI=1S/C13H13N3O/c1-9-6-7-11(17)13(10(9)2)16-15-12-5-3-4-8-14-12/h3-8,17H,1-2H3/b16-15+
InChIKeyDBNRJSBNUGUUFK-FOCLMDBBSA-N
MW227.27 g/mol
LogP3.82
Rot. Bonds2

About 3,4-dimethyl-2-(pyridin-2-yldiazenyl)phenol

3,4-dimethyl-2-(pyridin-2-yldiazenyl)phenol (PubChem CID 578612) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is 3,4-dimethyl-2-(pyridin-2-yldiazenyl)phenol.

Molecular Properties

Compound Name3,4-dimethyl-2-(pyridin-2-yldiazenyl)phenol
PubChem CID578612
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Name3,4-dimethyl-2-(pyridin-2-yldiazenyl)phenol
SMILESCc1ccc(O)c(/N=N/c2ccccn2)c1C
InChIInChI=1S/C13H13N3O/c1-9-6-7-11(17)13(10(9)2)16-15-12-5-3-4-8-14-12/h3-8,17H,1-2H3/b16-15+
InChIKeyDBNRJSBNUGUUFK-FOCLMDBBSA-N
XLogP3.82
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-Methyl-8-hydroxyquinoline
CID 71208
2-(2-Pyridylazo)-1-naphthol
CID 2831996
1-(2-Pyridylazo)-2-naphthol
CID 6825
4-[2-Amino-5-[3-(dimethylamino) phenyl]-3-pyridyl]phenol
CID 24821076
8-Quinolinol, 5-ethyl-
CID 6481991
5-Propylquinolin-8-ol
CID 6481992
2-Naphthalenol, 1-(2-(3-pyridinyl)diazenyl)-
CID 73745
1-Amino-7-isoquinolinol
CID 22631313
4-[2-Amino-5-(3-aminophenyl)-4-ethyl-3-pyridinyl]phenol
CID 122531775
4-(2-Pyridylazo)naphthol
CID 151462
5-Butylquinolin-8-ol
CID 6481993
Copper PAN
CID 135884961

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-(pyridin-2-yldiazenyl)phenol?
The IUPAC name of 3,4-dimethyl-2-(pyridin-2-yldiazenyl)phenol (CID 578612) is 3,4-dimethyl-2-(pyridin-2-yldiazenyl)phenol.
What is the SMILES notation for 3,4-dimethyl-2-(pyridin-2-yldiazenyl)phenol?
The canonical SMILES for 3,4-dimethyl-2-(pyridin-2-yldiazenyl)phenol is Cc1ccc(O)c(/N=N/c2ccccn2)c1C.
What is the InChIKey of 3,4-dimethyl-2-(pyridin-2-yldiazenyl)phenol?
The InChIKey is DBNRJSBNUGUUFK-FOCLMDBBSA-N. The full InChI is InChI=1S/C13H13N3O/c1-9-6-7-11(17)13(10(9)2)16-15-12-5-3-4-8-14-12/h3-8,17H,1-2H3/b16-15+.
What are the key properties of 3,4-dimethyl-2-(pyridin-2-yldiazenyl)phenol?
3,4-dimethyl-2-(pyridin-2-yldiazenyl)phenol has a molecular weight of 227.27 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-(pyridin-2-yldiazenyl)phenol is sourced from PubChem (CID 578612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).