4-hydroxy-3-iodo-5-nitrobenzonitrile

C7H3IN2O3 — CID 15532

IUPAC4-hydroxy-3-iodo-5-nitrobenzonitrile
SMILESN#Cc1cc(I)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C7H3IN2O3/c8-5-1-4(3-9)2-6(7(5)11)10(12)13/h1-2,11H
InChIKeySGKGVABHDAQAJO-UHFFFAOYSA-N
MW290.02 g/mol
LogP1.78
Rot. Bonds1

About 4-hydroxy-3-iodo-5-nitrobenzonitrile

4-hydroxy-3-iodo-5-nitrobenzonitrile (PubChem CID 15532) has the molecular formula C7H3IN2O3 and a molecular weight of 290.02 g/mol. Its IUPAC name is 4-hydroxy-3-iodo-5-nitrobenzonitrile.

Molecular Properties

Compound Name4-hydroxy-3-iodo-5-nitrobenzonitrile
PubChem CID15532
Molecular FormulaC7H3IN2O3
Molecular Weight290.02 g/mol
Exact Mass289.92
IUPAC Name4-hydroxy-3-iodo-5-nitrobenzonitrile
SMILESN#Cc1cc(I)c(O)c([N+](=O)[O-])c1
InChIInChI=1S/C7H3IN2O3/c8-5-1-4(3-9)2-6(7(5)11)10(12)13/h1-2,11H
InChIKeySGKGVABHDAQAJO-UHFFFAOYSA-N
XLogP1.78
TPSA87.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.02
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-iodo-5-nitrobenzonitrile?
The IUPAC name of 4-hydroxy-3-iodo-5-nitrobenzonitrile (CID 15532) is 4-hydroxy-3-iodo-5-nitrobenzonitrile.
What is the SMILES notation for 4-hydroxy-3-iodo-5-nitrobenzonitrile?
The canonical SMILES for 4-hydroxy-3-iodo-5-nitrobenzonitrile is N#Cc1cc(I)c(O)c([N+](=O)[O-])c1.
What is the InChIKey of 4-hydroxy-3-iodo-5-nitrobenzonitrile?
The InChIKey is SGKGVABHDAQAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3IN2O3/c8-5-1-4(3-9)2-6(7(5)11)10(12)13/h1-2,11H.
What are the key properties of 4-hydroxy-3-iodo-5-nitrobenzonitrile?
4-hydroxy-3-iodo-5-nitrobenzonitrile has a molecular weight of 290.02 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-iodo-5-nitrobenzonitrile is sourced from PubChem (CID 15532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).