(2,5-dihydroxypyrrol-1-yl)imino-phenyliminoazanium

C10H9N4O2+ — CID 91106294

IUPAC(2,5-dihydroxypyrrol-1-yl)imino-phenyliminoazanium
SMILESOc1ccc(O)n1N=[N+]=Nc1ccccc1
InChIInChI=1S/C10H8N4O2/c15-9-6-7-10(16)14(9)13-12-11-8-4-2-1-3-5-8/h1-7H,(H,11,13)/p+1
InChIKeyVECBLJUVEQCDPZ-UHFFFAOYSA-O
MW217.21 g/mol
LogP1.97
Rot. Bonds2

About (2,5-dihydroxypyrrol-1-yl)imino-phenyliminoazanium

(2,5-dihydroxypyrrol-1-yl)imino-phenyliminoazanium (PubChem CID 91106294) has the molecular formula C10H9N4O2+ and a molecular weight of 217.21 g/mol. Its IUPAC name is (2,5-dihydroxypyrrol-1-yl)imino-phenyliminoazanium.

Molecular Properties

Compound Name(2,5-dihydroxypyrrol-1-yl)imino-phenyliminoazanium
PubChem CID91106294
Molecular FormulaC10H9N4O2+
Molecular Weight217.21 g/mol
Exact Mass217.07
IUPAC Name(2,5-dihydroxypyrrol-1-yl)imino-phenyliminoazanium
SMILESOc1ccc(O)n1N=[N+]=Nc1ccccc1
InChIInChI=1S/C10H8N4O2/c15-9-6-7-10(16)14(9)13-12-11-8-4-2-1-3-5-8/h1-7H,(H,11,13)/p+1
InChIKeyVECBLJUVEQCDPZ-UHFFFAOYSA-O
XLogP1.97
TPSA84.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', '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 (2,5-dihydroxypyrrol-1-yl)imino-phenyliminoazanium?
The IUPAC name of (2,5-dihydroxypyrrol-1-yl)imino-phenyliminoazanium (CID 91106294) is (2,5-dihydroxypyrrol-1-yl)imino-phenyliminoazanium.
What is the SMILES notation for (2,5-dihydroxypyrrol-1-yl)imino-phenyliminoazanium?
The canonical SMILES for (2,5-dihydroxypyrrol-1-yl)imino-phenyliminoazanium is Oc1ccc(O)n1N=[N+]=Nc1ccccc1.
What is the InChIKey of (2,5-dihydroxypyrrol-1-yl)imino-phenyliminoazanium?
The InChIKey is VECBLJUVEQCDPZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H8N4O2/c15-9-6-7-10(16)14(9)13-12-11-8-4-2-1-3-5-8/h1-7H,(H,11,13)/p+1.
What are the key properties of (2,5-dihydroxypyrrol-1-yl)imino-phenyliminoazanium?
(2,5-dihydroxypyrrol-1-yl)imino-phenyliminoazanium has a molecular weight of 217.21 g/mol, XLogP of 1.97, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dihydroxypyrrol-1-yl)imino-phenyliminoazanium is sourced from PubChem (CID 91106294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).