2-iodo-5-nitrophenol

C6H4INO3 — CID 18672602

IUPAC2-iodo-5-nitrophenol
SMILESO=[N+]([O-])c1ccc(I)c(O)c1
InChIInChI=1S/C6H4INO3/c7-5-2-1-4(8(10)11)3-6(5)9/h1-3,9H
InChIKeyKUACYTMKOLNBNK-UHFFFAOYSA-N
MW265.01 g/mol
LogP1.90
Rot. Bonds1

About 2-iodo-5-nitrophenol

2-iodo-5-nitrophenol (PubChem CID 18672602) has the molecular formula C6H4INO3 and a molecular weight of 265.01 g/mol. Its IUPAC name is 2-iodo-5-nitrophenol.

Molecular Properties

Compound Name2-iodo-5-nitrophenol
PubChem CID18672602
Molecular FormulaC6H4INO3
Molecular Weight265.01 g/mol
Exact Mass264.92
IUPAC Name2-iodo-5-nitrophenol
SMILESO=[N+]([O-])c1ccc(I)c(O)c1
InChIInChI=1S/C6H4INO3/c7-5-2-1-4(8(10)11)3-6(5)9/h1-3,9H
InChIKeyKUACYTMKOLNBNK-UHFFFAOYSA-N
XLogP1.90
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.01
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'}

Analyze 2-iodo-5-nitrophenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Nitrophenol
CID 980
3-Aminophenol
CID 11568
2-Amino-5-Nitrophenol
CID 4984721
2,5-Dinitrophenol
CID 9492
3-Nitrophenol
CID 11137
2-Nitrophenol
CID 6947
4-Nitrosophenol
CID 7729
4-Nitrocatechol
CID 3505109
2,3-Dinitrophenol
CID 6191
3,4-Dinitrophenol
CID 11348
2-Amino-3-Nitrophenol
CID 4115495
2,6-Diiodo-4-nitrophenol
CID 9370

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-nitrophenol?
The IUPAC name of 2-iodo-5-nitrophenol (CID 18672602) is 2-iodo-5-nitrophenol.
What is the SMILES notation for 2-iodo-5-nitrophenol?
The canonical SMILES for 2-iodo-5-nitrophenol is O=[N+]([O-])c1ccc(I)c(O)c1.
What is the InChIKey of 2-iodo-5-nitrophenol?
The InChIKey is KUACYTMKOLNBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4INO3/c7-5-2-1-4(8(10)11)3-6(5)9/h1-3,9H.
What are the key properties of 2-iodo-5-nitrophenol?
2-iodo-5-nitrophenol has a molecular weight of 265.01 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-nitrophenol is sourced from PubChem (CID 18672602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).