4,6-diiodobenzene-1,3-diol;dipyridin-4-yldiazene

C16H12I2N4O2 — CID 139202655

IUPAC4,6-diiodobenzene-1,3-diol;dipyridin-4-yldiazene
SMILESOc1cc(O)c(I)cc1I.c1cc(/N=N/c2ccncc2)ccn1
InChIInChI=1S/C10H8N4.C6H4I2O2/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10;7-3-1-4(8)6(10)2-5(3)9/h1-8H;1-2,9-10H/b14-13+;
InChIKeyNWVIPMYUGNVROG-IERUDJENSA-N
MW546.11 g/mol
LogP5.20
Rot. Bonds2

About 4,6-diiodobenzene-1,3-diol;dipyridin-4-yldiazene

4,6-diiodobenzene-1,3-diol;dipyridin-4-yldiazene (PubChem CID 139202655) has the molecular formula C16H12I2N4O2 and a molecular weight of 546.11 g/mol. Its IUPAC name is 4,6-diiodobenzene-1,3-diol;dipyridin-4-yldiazene.

Molecular Properties

Compound Name4,6-diiodobenzene-1,3-diol;dipyridin-4-yldiazene
PubChem CID139202655
Molecular FormulaC16H12I2N4O2
Molecular Weight546.11 g/mol
Exact Mass545.90
IUPAC Name4,6-diiodobenzene-1,3-diol;dipyridin-4-yldiazene
SMILESOc1cc(O)c(I)cc1I.c1cc(/N=N/c2ccncc2)ccn1
InChIInChI=1S/C10H8N4.C6H4I2O2/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10;7-3-1-4(8)6(10)2-5(3)9/h1-8H;1-2,9-10H/b14-13+;
InChIKeyNWVIPMYUGNVROG-IERUDJENSA-N
XLogP5.20
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.11
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,6-diiodobenzene-1,3-diol;dipyridin-4-yldiazene?
The IUPAC name of 4,6-diiodobenzene-1,3-diol;dipyridin-4-yldiazene (CID 139202655) is 4,6-diiodobenzene-1,3-diol;dipyridin-4-yldiazene.
What is the SMILES notation for 4,6-diiodobenzene-1,3-diol;dipyridin-4-yldiazene?
The canonical SMILES for 4,6-diiodobenzene-1,3-diol;dipyridin-4-yldiazene is Oc1cc(O)c(I)cc1I.c1cc(/N=N/c2ccncc2)ccn1.
What is the InChIKey of 4,6-diiodobenzene-1,3-diol;dipyridin-4-yldiazene?
The InChIKey is NWVIPMYUGNVROG-IERUDJENSA-N. The full InChI is InChI=1S/C10H8N4.C6H4I2O2/c1-5-11-6-2-9(1)13-14-10-3-7-12-8-4-10;7-3-1-4(8)6(10)2-5(3)9/h1-8H;1-2,9-10H/b14-13+;.
What are the key properties of 4,6-diiodobenzene-1,3-diol;dipyridin-4-yldiazene?
4,6-diiodobenzene-1,3-diol;dipyridin-4-yldiazene has a molecular weight of 546.11 g/mol, XLogP of 5.20, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diiodobenzene-1,3-diol;dipyridin-4-yldiazene is sourced from PubChem (CID 139202655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).