2-amino-5-(4-iodophenoxy)benzoic acid

C13H10INO3 — CID 60987724

IUPAC2-amino-5-(4-iodophenoxy)benzoic acid
SMILESNc1ccc(Oc2ccc(I)cc2)cc1C(=O)O
InChIInChI=1S/C13H10INO3/c14-8-1-3-9(4-2-8)18-10-5-6-12(15)11(7-10)13(16)17/h1-7H,15H2,(H,16,17)
InChIKeyKUMUUBBCLUDHOG-UHFFFAOYSA-N
MW355.13 g/mol
LogP3.36
Rot. Bonds3

About 2-amino-5-(4-iodophenoxy)benzoic acid

2-amino-5-(4-iodophenoxy)benzoic acid (PubChem CID 60987724) has the molecular formula C13H10INO3 and a molecular weight of 355.13 g/mol. Its IUPAC name is 2-amino-5-(4-iodophenoxy)benzoic acid.

Molecular Properties

Compound Name2-amino-5-(4-iodophenoxy)benzoic acid
PubChem CID60987724
Molecular FormulaC13H10INO3
Molecular Weight355.13 g/mol
Exact Mass354.97
IUPAC Name2-amino-5-(4-iodophenoxy)benzoic acid
SMILESNc1ccc(Oc2ccc(I)cc2)cc1C(=O)O
InChIInChI=1S/C13H10INO3/c14-8-1-3-9(4-2-8)18-10-5-6-12(15)11(7-10)13(16)17/h1-7H,15H2,(H,16,17)
InChIKeyKUMUUBBCLUDHOG-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'}

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Related Compounds

1-[2-amino-5-(4-iodophenoxy)phenyl]ethanone
CID 104613269
2-amino-5-(4-carbamoylphenoxy)benzoic acid
CID 60986679
2-hydroxy-4-(4-iodophenoxy)benzoic acid
CID 164953547
2-amino-5-(3,4-dichlorophenoxy)benzoic acid
CID 61000632
1-[2-amino-4-(4-iodophenoxy)phenyl]ethanone
CID 113423320
2-amino-5-(4-iodoanilino)benzoic acid
CID 60988591
2-amino-5-(4-bromo-3-methylphenoxy)benzoic acid
CID 83134573
2-amino-5-[4-(4-amino-3-carboxyphenoxy)-2,3,5,6-tetrafluorophenoxy]benzoic acid;benzene
CID 158765392
2-amino-5-(4-chloro-3-methylphenoxy)benzoic acid
CID 60986913
2-amino-5-(4-butan-2-ylphenoxy)benzoic acid
CID 107667442
2-amino-5-methoxybenzoic acid;hydrochloride
CID 15618229
2-amino-5-(4-iodophenyl)sulfanylbenzoic acid
CID 91879941

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-iodophenoxy)benzoic acid?
The IUPAC name of 2-amino-5-(4-iodophenoxy)benzoic acid (CID 60987724) is 2-amino-5-(4-iodophenoxy)benzoic acid.
What is the SMILES notation for 2-amino-5-(4-iodophenoxy)benzoic acid?
The canonical SMILES for 2-amino-5-(4-iodophenoxy)benzoic acid is Nc1ccc(Oc2ccc(I)cc2)cc1C(=O)O.
What is the InChIKey of 2-amino-5-(4-iodophenoxy)benzoic acid?
The InChIKey is KUMUUBBCLUDHOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10INO3/c14-8-1-3-9(4-2-8)18-10-5-6-12(15)11(7-10)13(16)17/h1-7H,15H2,(H,16,17).
What are the key properties of 2-amino-5-(4-iodophenoxy)benzoic acid?
2-amino-5-(4-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 2-amino-5-(4-iodophenoxy)benzoic acid is sourced from PubChem (CID 60987724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).