3-amino-4-[(2-hydroxyphenyl)diazenyl]-1-phenylpyrrole-2,5-diol

C16H14N4O3 — CID 136784305

IUPAC3-amino-4-[(2-hydroxyphenyl)diazenyl]-1-phenylpyrrole-2,5-diol
SMILESNc1c(/N=N/c2ccccc2O)c(O)n(-c2ccccc2)c1O
InChIInChI=1S/C16H14N4O3/c17-13-14(19-18-11-8-4-5-9-12(11)21)16(23)20(15(13)22)10-6-2-1-3-7-10/h1-9,21-23H,17H2/b19-18+
InChIKeyYNJNXNHSEKPOPH-VHEBQXMUSA-N
MW310.31 g/mol
LogP3.59
Rot. Bonds3

About 3-amino-4-[(2-hydroxyphenyl)diazenyl]-1-phenylpyrrole-2,5-diol

3-amino-4-[(2-hydroxyphenyl)diazenyl]-1-phenylpyrrole-2,5-diol (PubChem CID 136784305) has the molecular formula C16H14N4O3 and a molecular weight of 310.31 g/mol. Its IUPAC name is 3-amino-4-[(2-hydroxyphenyl)diazenyl]-1-phenylpyrrole-2,5-diol.

Molecular Properties

Compound Name3-amino-4-[(2-hydroxyphenyl)diazenyl]-1-phenylpyrrole-2,5-diol
PubChem CID136784305
Molecular FormulaC16H14N4O3
Molecular Weight310.31 g/mol
Exact Mass310.11
IUPAC Name3-amino-4-[(2-hydroxyphenyl)diazenyl]-1-phenylpyrrole-2,5-diol
SMILESNc1c(/N=N/c2ccccc2O)c(O)n(-c2ccccc2)c1O
InChIInChI=1S/C16H14N4O3/c17-13-14(19-18-11-8-4-5-9-12(11)21)16(23)20(15(13)22)10-6-2-1-3-7-10/h1-9,21-23H,17H2/b19-18+
InChIKeyYNJNXNHSEKPOPH-VHEBQXMUSA-N
XLogP3.59
TPSA116.36 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.59
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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 3-amino-4-[(2-hydroxyphenyl)diazenyl]-1-phenylpyrrole-2,5-diol?
The IUPAC name of 3-amino-4-[(2-hydroxyphenyl)diazenyl]-1-phenylpyrrole-2,5-diol (CID 136784305) is 3-amino-4-[(2-hydroxyphenyl)diazenyl]-1-phenylpyrrole-2,5-diol.
What is the SMILES notation for 3-amino-4-[(2-hydroxyphenyl)diazenyl]-1-phenylpyrrole-2,5-diol?
The canonical SMILES for 3-amino-4-[(2-hydroxyphenyl)diazenyl]-1-phenylpyrrole-2,5-diol is Nc1c(/N=N/c2ccccc2O)c(O)n(-c2ccccc2)c1O.
What is the InChIKey of 3-amino-4-[(2-hydroxyphenyl)diazenyl]-1-phenylpyrrole-2,5-diol?
The InChIKey is YNJNXNHSEKPOPH-VHEBQXMUSA-N. The full InChI is InChI=1S/C16H14N4O3/c17-13-14(19-18-11-8-4-5-9-12(11)21)16(23)20(15(13)22)10-6-2-1-3-7-10/h1-9,21-23H,17H2/b19-18+.
What are the key properties of 3-amino-4-[(2-hydroxyphenyl)diazenyl]-1-phenylpyrrole-2,5-diol?
3-amino-4-[(2-hydroxyphenyl)diazenyl]-1-phenylpyrrole-2,5-diol has a molecular weight of 310.31 g/mol, XLogP of 3.59, 3 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-[(2-hydroxyphenyl)diazenyl]-1-phenylpyrrole-2,5-diol is sourced from PubChem (CID 136784305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).