2-[(5-bromo-2-pyridinyl)diazenyl]-5-(dimethylamino)phenol;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;4-(pyridin-2-yldiazenyl)benzene-1,3-diol

C37H36BrN11O4 — CID 161266200

IUPAC2-[(5-bromo-2-pyridinyl)diazenyl]-5-(dimethylamino)phenol;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;4-(pyridin-2-yldiazenyl)benzene-1,3-diol
SMILESCN(C)c1ccc(/N=N/c2ccc(Br)cn2)c(O)c1.CN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.Oc1ccc(/N=N/c2ccccn2)c(O)c1
InChIInChI=1S/C13H13BrN4O.C13H14N4O.C11H9N3O2/c1-18(2)10-4-5-11(12(19)7-10)16-17-13-6-3-9(14)8-15-13;1-17(2)10-6-7-11(12(18)9-10)15-16-13-5-3-4-8-14-13;15-8-4-5-9(10(16)7-8)13-14-11-3-1-2-6-12-11/h3-8,19H,1-2H3;3-9,18H,1-2H3;1-7,15-16H/b17-16+;16-15+;14-13+
InChIKeyVDFHNZWVFMUWLP-ZDUPIWDCSA-N
MW778.67 g/mol
LogP10.21
Rot. Bonds8

About 2-[(5-bromo-2-pyridinyl)diazenyl]-5-(dimethylamino)phenol;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;4-(pyridin-2-yldiazenyl)benzene-1,3-diol

2-[(5-bromo-2-pyridinyl)diazenyl]-5-(dimethylamino)phenol;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;4-(pyridin-2-yldiazenyl)benzene-1,3-diol (PubChem CID 161266200) has the molecular formula C37H36BrN11O4 and a molecular weight of 778.67 g/mol. Its IUPAC name is 2-[(5-bromo-2-pyridinyl)diazenyl]-5-(dimethylamino)phenol;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;4-(pyridin-2-yldiazenyl)benzene-1,3-diol.

Molecular Properties

Compound Name2-[(5-bromo-2-pyridinyl)diazenyl]-5-(dimethylamino)phenol;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;4-(pyridin-2-yldiazenyl)benzene-1,3-diol
PubChem CID161266200
Molecular FormulaC37H36BrN11O4
Molecular Weight778.67 g/mol
Exact Mass777.21
IUPAC Name2-[(5-bromo-2-pyridinyl)diazenyl]-5-(dimethylamino)phenol;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;4-(pyridin-2-yldiazenyl)benzene-1,3-diol
SMILESCN(C)c1ccc(/N=N/c2ccc(Br)cn2)c(O)c1.CN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.Oc1ccc(/N=N/c2ccccn2)c(O)c1
InChIInChI=1S/C13H13BrN4O.C13H14N4O.C11H9N3O2/c1-18(2)10-4-5-11(12(19)7-10)16-17-13-6-3-9(14)8-15-13;1-17(2)10-6-7-11(12(18)9-10)15-16-13-5-3-4-8-14-13;15-8-4-5-9(10(16)7-8)13-14-11-3-1-2-6-12-11/h3-8,19H,1-2H3;3-9,18H,1-2H3;1-7,15-16H/b17-16+;16-15+;14-13+
InChIKeyVDFHNZWVFMUWLP-ZDUPIWDCSA-N
XLogP10.21
TPSA200.23 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500778.67
LogP ≤ 510.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1015

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-[(5-bromo-2-pyridinyl)diazenyl]-5-(dimethylamino)phenol;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;4-(pyridin-2-yldiazenyl)benzene-1,3-diol?
The IUPAC name of 2-[(5-bromo-2-pyridinyl)diazenyl]-5-(dimethylamino)phenol;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;4-(pyridin-2-yldiazenyl)benzene-1,3-diol (CID 161266200) is 2-[(5-bromo-2-pyridinyl)diazenyl]-5-(dimethylamino)phenol;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;4-(pyridin-2-yldiazenyl)benzene-1,3-diol.
What is the SMILES notation for 2-[(5-bromo-2-pyridinyl)diazenyl]-5-(dimethylamino)phenol;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;4-(pyridin-2-yldiazenyl)benzene-1,3-diol?
The canonical SMILES for 2-[(5-bromo-2-pyridinyl)diazenyl]-5-(dimethylamino)phenol;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;4-(pyridin-2-yldiazenyl)benzene-1,3-diol is CN(C)c1ccc(/N=N/c2ccc(Br)cn2)c(O)c1.CN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.Oc1ccc(/N=N/c2ccccn2)c(O)c1.
What is the InChIKey of 2-[(5-bromo-2-pyridinyl)diazenyl]-5-(dimethylamino)phenol;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;4-(pyridin-2-yldiazenyl)benzene-1,3-diol?
The InChIKey is VDFHNZWVFMUWLP-ZDUPIWDCSA-N. The full InChI is InChI=1S/C13H13BrN4O.C13H14N4O.C11H9N3O2/c1-18(2)10-4-5-11(12(19)7-10)16-17-13-6-3-9(14)8-15-13;1-17(2)10-6-7-11(12(18)9-10)15-16-13-5-3-4-8-14-13;15-8-4-5-9(10(16)7-8)13-14-11-3-1-2-6-12-11/h3-8,19H,1-2H3;3-9,18H,1-2H3;1-7,15-16H/b17-16+;16-15+;14-13+.
What are the key properties of 2-[(5-bromo-2-pyridinyl)diazenyl]-5-(dimethylamino)phenol;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;4-(pyridin-2-yldiazenyl)benzene-1,3-diol?
2-[(5-bromo-2-pyridinyl)diazenyl]-5-(dimethylamino)phenol;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;4-(pyridin-2-yldiazenyl)benzene-1,3-diol has a molecular weight of 778.67 g/mol, XLogP of 10.21, 8 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-pyridinyl)diazenyl]-5-(dimethylamino)phenol;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;4-(pyridin-2-yldiazenyl)benzene-1,3-diol is sourced from PubChem (CID 161266200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).