3-amino-2-(2-iodophenoxy)benzoic acid

C13H10INO3 — CID 112579765

IUPAC3-amino-2-(2-iodophenoxy)benzoic acid
SMILESNc1cccc(C(=O)O)c1Oc1ccccc1I
InChIInChI=1S/C13H10INO3/c14-9-5-1-2-7-11(9)18-12-8(13(16)17)4-3-6-10(12)15/h1-7H,15H2,(H,16,17)
InChIKeyQTYHBHXZRGZTRS-UHFFFAOYSA-N
MW355.13 g/mol
LogP3.36
Rot. Bonds3

About 3-amino-2-(2-iodophenoxy)benzoic acid

3-amino-2-(2-iodophenoxy)benzoic acid (PubChem CID 112579765) has the molecular formula C13H10INO3 and a molecular weight of 355.13 g/mol. Its IUPAC name is 3-amino-2-(2-iodophenoxy)benzoic acid.

Molecular Properties

Compound Name3-amino-2-(2-iodophenoxy)benzoic acid
PubChem CID112579765
Molecular FormulaC13H10INO3
Molecular Weight355.13 g/mol
Exact Mass354.97
IUPAC Name3-amino-2-(2-iodophenoxy)benzoic acid
SMILESNc1cccc(C(=O)O)c1Oc1ccccc1I
InChIInChI=1S/C13H10INO3/c14-9-5-1-2-7-11(9)18-12-8(13(16)17)4-3-6-10(12)15/h1-7H,15H2,(H,16,17)
InChIKeyQTYHBHXZRGZTRS-UHFFFAOYSA-N
XLogP3.36
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.13
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-2-(2-iodophenoxy)benzoic acid 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

3-amino-2-(2,4,5-trichlorophenoxy)benzoic acid
CID 115935660
3-amino-2-(5-fluoro-2-methylphenoxy)benzoic acid
CID 102982925
3-chloro-2-(2-iodophenoxy)aniline
CID 43479593
lithium;hydride;3-iodo-2-iodooxybenzoic acid
CID 173171906
3-amino-2-aminooxybenzoic acid
CID 54335840
3-amino-2-methoxybenzoic acid
CID 19849158
3-amino-2-(5-bromo-2-chlorophenoxy)benzoic acid
CID 112579858
3-amino-2-(2-chloro-5-methylphenoxy)benzoic acid
CID 112579753
3-amino-2-methoxybenzoic acid;hydrochloride
CID 163206997
CID 172796646
CID 172796646
3-amino-2-naphthalen-1-yloxybenzamide
CID 115935620
2-[2,3-bis(2-carboxyphenoxy)phenoxy]benzoic acid
CID 68804426

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-iodophenoxy)benzoic acid?
The IUPAC name of 3-amino-2-(2-iodophenoxy)benzoic acid (CID 112579765) is 3-amino-2-(2-iodophenoxy)benzoic acid.
What is the SMILES notation for 3-amino-2-(2-iodophenoxy)benzoic acid?
The canonical SMILES for 3-amino-2-(2-iodophenoxy)benzoic acid is Nc1cccc(C(=O)O)c1Oc1ccccc1I.
What is the InChIKey of 3-amino-2-(2-iodophenoxy)benzoic acid?
The InChIKey is QTYHBHXZRGZTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10INO3/c14-9-5-1-2-7-11(9)18-12-8(13(16)17)4-3-6-10(12)15/h1-7H,15H2,(H,16,17).
What are the key properties of 3-amino-2-(2-iodophenoxy)benzoic acid?
3-amino-2-(2-iodophenoxy)benzoic acid has a molecular weight of 355.13 g/mol, XLogP of 3.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-iodophenoxy)benzoic acid is sourced from PubChem (CID 112579765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).