1,5-diiodoindol-3-ol;phosphoric acid

C8H8I2NO5P — CID 67234580

IUPAC1,5-diiodoindol-3-ol;phosphoric acid
SMILESO=P(O)(O)O.Oc1cn(I)c2ccc(I)cc12
InChIInChI=1S/C8H5I2NO.H3O4P/c9-5-1-2-7-6(3-5)8(12)4-11(7)10;1-5(2,3)4/h1-4,12H;(H3,1,2,3,4)
InChIKeyMDONQRLYEQTBNT-UHFFFAOYSA-N
MW482.94 g/mol
LogP2.22
Rot. Bonds

About 1,5-diiodoindol-3-ol;phosphoric acid

1,5-diiodoindol-3-ol;phosphoric acid (PubChem CID 67234580) has the molecular formula C8H8I2NO5P and a molecular weight of 482.94 g/mol. Its IUPAC name is 1,5-diiodoindol-3-ol;phosphoric acid.

Molecular Properties

Compound Name1,5-diiodoindol-3-ol;phosphoric acid
PubChem CID67234580
Molecular FormulaC8H8I2NO5P
Molecular Weight482.94 g/mol
Exact Mass482.82
IUPAC Name1,5-diiodoindol-3-ol;phosphoric acid
SMILESO=P(O)(O)O.Oc1cn(I)c2ccc(I)cc12
InChIInChI=1S/C8H5I2NO.H3O4P/c9-5-1-2-7-6(3-5)8(12)4-11(7)10;1-5(2,3)4/h1-4,12H;(H3,1,2,3,4)
InChIKeyMDONQRLYEQTBNT-UHFFFAOYSA-N
XLogP2.22
TPSA102.92 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.94
LogP ≤ 52.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,5-diiodoindol-3-ol;phosphoric acid?
The IUPAC name of 1,5-diiodoindol-3-ol;phosphoric acid (CID 67234580) is 1,5-diiodoindol-3-ol;phosphoric acid.
What is the SMILES notation for 1,5-diiodoindol-3-ol;phosphoric acid?
The canonical SMILES for 1,5-diiodoindol-3-ol;phosphoric acid is O=P(O)(O)O.Oc1cn(I)c2ccc(I)cc12.
What is the InChIKey of 1,5-diiodoindol-3-ol;phosphoric acid?
The InChIKey is MDONQRLYEQTBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5I2NO.H3O4P/c9-5-1-2-7-6(3-5)8(12)4-11(7)10;1-5(2,3)4/h1-4,12H;(H3,1,2,3,4).
What are the key properties of 1,5-diiodoindol-3-ol;phosphoric acid?
1,5-diiodoindol-3-ol;phosphoric acid has a molecular weight of 482.94 g/mol, XLogP of 2.22, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diiodoindol-3-ol;phosphoric acid is sourced from PubChem (CID 67234580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).