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

C38H39N11O4 — CID 158043650

IUPAC5-(dimethylamino)-2-[(5-methyl-2-pyridinyl)diazenyl]phenol;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;4-(pyridin-2-yldiazenyl)benzene-1,3-diol
SMILESCN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.Cc1ccc(/N=N/c2ccc(N(C)C)cc2O)nc1.Oc1ccc(/N=N/c2ccccn2)c(O)c1
InChIInChI=1S/C14H16N4O.C13H14N4O.C11H9N3O2/c1-10-4-7-14(15-9-10)17-16-12-6-5-11(18(2)3)8-13(12)19;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/h4-9,19H,1-3H3;3-9,18H,1-2H3;1-7,15-16H/b17-16+;16-15+;14-13+
InChIKeyFIQPQQQIBBUOAU-ZDUPIWDCSA-N
MW713.80 g/mol
LogP9.75
Rot. Bonds8

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

5-(dimethylamino)-2-[(5-methyl-2-pyridinyl)diazenyl]phenol;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;4-(pyridin-2-yldiazenyl)benzene-1,3-diol (PubChem CID 158043650) has the molecular formula C38H39N11O4 and a molecular weight of 713.80 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[(5-methyl-2-pyridinyl)diazenyl]phenol;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;4-(pyridin-2-yldiazenyl)benzene-1,3-diol.

Molecular Properties

Compound Name5-(dimethylamino)-2-[(5-methyl-2-pyridinyl)diazenyl]phenol;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;4-(pyridin-2-yldiazenyl)benzene-1,3-diol
PubChem CID158043650
Molecular FormulaC38H39N11O4
Molecular Weight713.80 g/mol
Exact Mass713.32
IUPAC Name5-(dimethylamino)-2-[(5-methyl-2-pyridinyl)diazenyl]phenol;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;4-(pyridin-2-yldiazenyl)benzene-1,3-diol
SMILESCN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.Cc1ccc(/N=N/c2ccc(N(C)C)cc2O)nc1.Oc1ccc(/N=N/c2ccccn2)c(O)c1
InChIInChI=1S/C14H16N4O.C13H14N4O.C11H9N3O2/c1-10-4-7-14(15-9-10)17-16-12-6-5-11(18(2)3)8-13(12)19;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/h4-9,19H,1-3H3;3-9,18H,1-2H3;1-7,15-16H/b17-16+;16-15+;14-13+
InChIKeyFIQPQQQIBBUOAU-ZDUPIWDCSA-N
XLogP9.75
TPSA200.23 Ų
H-Bond Donors4
H-Bond Acceptors15
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500713.80
LogP ≤ 59.75
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 5-(dimethylamino)-2-[(5-methyl-2-pyridinyl)diazenyl]phenol;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;4-(pyridin-2-yldiazenyl)benzene-1,3-diol?
The IUPAC name of 5-(dimethylamino)-2-[(5-methyl-2-pyridinyl)diazenyl]phenol;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;4-(pyridin-2-yldiazenyl)benzene-1,3-diol (CID 158043650) is 5-(dimethylamino)-2-[(5-methyl-2-pyridinyl)diazenyl]phenol;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;4-(pyridin-2-yldiazenyl)benzene-1,3-diol.
What is the SMILES notation for 5-(dimethylamino)-2-[(5-methyl-2-pyridinyl)diazenyl]phenol;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;4-(pyridin-2-yldiazenyl)benzene-1,3-diol?
The canonical SMILES for 5-(dimethylamino)-2-[(5-methyl-2-pyridinyl)diazenyl]phenol;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;4-(pyridin-2-yldiazenyl)benzene-1,3-diol is CN(C)c1ccc(/N=N/c2ccccn2)c(O)c1.Cc1ccc(/N=N/c2ccc(N(C)C)cc2O)nc1.Oc1ccc(/N=N/c2ccccn2)c(O)c1.
What is the InChIKey of 5-(dimethylamino)-2-[(5-methyl-2-pyridinyl)diazenyl]phenol;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;4-(pyridin-2-yldiazenyl)benzene-1,3-diol?
The InChIKey is FIQPQQQIBBUOAU-ZDUPIWDCSA-N. The full InChI is InChI=1S/C14H16N4O.C13H14N4O.C11H9N3O2/c1-10-4-7-14(15-9-10)17-16-12-6-5-11(18(2)3)8-13(12)19;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/h4-9,19H,1-3H3;3-9,18H,1-2H3;1-7,15-16H/b17-16+;16-15+;14-13+.
What are the key properties of 5-(dimethylamino)-2-[(5-methyl-2-pyridinyl)diazenyl]phenol;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;4-(pyridin-2-yldiazenyl)benzene-1,3-diol?
5-(dimethylamino)-2-[(5-methyl-2-pyridinyl)diazenyl]phenol;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;4-(pyridin-2-yldiazenyl)benzene-1,3-diol has a molecular weight of 713.80 g/mol, XLogP of 9.75, 8 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[(5-methyl-2-pyridinyl)diazenyl]phenol;5-(dimethylamino)-2-(pyridin-2-yldiazenyl)phenol;4-(pyridin-2-yldiazenyl)benzene-1,3-diol is sourced from PubChem (CID 158043650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).