4-hydroxy-3,5-diiodobenzonitrile

C7H3I2NO — CID 15530

IUPAC4-hydroxy-3,5-diiodobenzonitrile
SMILESN#Cc1cc(I)c(O)c(I)c1
InChIInChI=1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
InChIKeyNRXQIUSYPAHGNM-UHFFFAOYSA-N
MW370.92 g/mol
LogP2.47
Rot. Bonds

About 4-hydroxy-3,5-diiodobenzonitrile

4-hydroxy-3,5-diiodobenzonitrile (PubChem CID 15530) has the molecular formula C7H3I2NO and a molecular weight of 370.92 g/mol. Its IUPAC name is 4-hydroxy-3,5-diiodobenzonitrile.

Molecular Properties

Compound Name4-hydroxy-3,5-diiodobenzonitrile
PubChem CID15530
Molecular FormulaC7H3I2NO
Molecular Weight370.92 g/mol
Exact Mass370.83
IUPAC Name4-hydroxy-3,5-diiodobenzonitrile
SMILESN#Cc1cc(I)c(O)c(I)c1
InChIInChI=1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H
InChIKeyNRXQIUSYPAHGNM-UHFFFAOYSA-N
XLogP2.47
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.92
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3,5-diiodobenzonitrile?
The IUPAC name of 4-hydroxy-3,5-diiodobenzonitrile (CID 15530) is 4-hydroxy-3,5-diiodobenzonitrile.
What is the SMILES notation for 4-hydroxy-3,5-diiodobenzonitrile?
The canonical SMILES for 4-hydroxy-3,5-diiodobenzonitrile is N#Cc1cc(I)c(O)c(I)c1.
What is the InChIKey of 4-hydroxy-3,5-diiodobenzonitrile?
The InChIKey is NRXQIUSYPAHGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3I2NO/c8-5-1-4(3-10)2-6(9)7(5)11/h1-2,11H.
What are the key properties of 4-hydroxy-3,5-diiodobenzonitrile?
4-hydroxy-3,5-diiodobenzonitrile has a molecular weight of 370.92 g/mol, XLogP of 2.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3,5-diiodobenzonitrile is sourced from PubChem (CID 15530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).