1-(3-azidophenyl)pyrrole-2,5-diol

C10H8N4O2 — CID 54265825

IUPAC1-(3-azidophenyl)pyrrole-2,5-diol
SMILES[N-]=[N+]=Nc1cccc(-n2c(O)ccc2O)c1
InChIInChI=1S/C10H8N4O2/c11-13-12-7-2-1-3-8(6-7)14-9(15)4-5-10(14)16/h1-6,15-16H
InChIKeyBSHXJGDQVHUSGY-UHFFFAOYSA-N
MW216.20 g/mol
LogP2.83
Rot. Bonds2

About 1-(3-azidophenyl)pyrrole-2,5-diol

1-(3-azidophenyl)pyrrole-2,5-diol (PubChem CID 54265825) has the molecular formula C10H8N4O2 and a molecular weight of 216.20 g/mol. Its IUPAC name is 1-(3-azidophenyl)pyrrole-2,5-diol.

Molecular Properties

Compound Name1-(3-azidophenyl)pyrrole-2,5-diol
PubChem CID54265825
Molecular FormulaC10H8N4O2
Molecular Weight216.20 g/mol
Exact Mass216.06
IUPAC Name1-(3-azidophenyl)pyrrole-2,5-diol
SMILES[N-]=[N+]=Nc1cccc(-n2c(O)ccc2O)c1
InChIInChI=1S/C10H8N4O2/c11-13-12-7-2-1-3-8(6-7)14-9(15)4-5-10(14)16/h1-6,15-16H
InChIKeyBSHXJGDQVHUSGY-UHFFFAOYSA-N
XLogP2.83
TPSA94.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-azidophenyl)pyrrole-2,5-diol?
The IUPAC name of 1-(3-azidophenyl)pyrrole-2,5-diol (CID 54265825) is 1-(3-azidophenyl)pyrrole-2,5-diol.
What is the SMILES notation for 1-(3-azidophenyl)pyrrole-2,5-diol?
The canonical SMILES for 1-(3-azidophenyl)pyrrole-2,5-diol is [N-]=[N+]=Nc1cccc(-n2c(O)ccc2O)c1.
What is the InChIKey of 1-(3-azidophenyl)pyrrole-2,5-diol?
The InChIKey is BSHXJGDQVHUSGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2/c11-13-12-7-2-1-3-8(6-7)14-9(15)4-5-10(14)16/h1-6,15-16H.
What are the key properties of 1-(3-azidophenyl)pyrrole-2,5-diol?
1-(3-azidophenyl)pyrrole-2,5-diol has a molecular weight of 216.20 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-azidophenyl)pyrrole-2,5-diol is sourced from PubChem (CID 54265825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).