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

C13H11IN2O2 — CID 60988591

IUPAC2-amino-5-(4-iodoanilino)benzoic acid
SMILESNc1ccc(Nc2ccc(I)cc2)cc1C(=O)O
InChIInChI=1S/C13H11IN2O2/c14-8-1-3-9(4-2-8)16-10-5-6-12(15)11(7-10)13(17)18/h1-7,16H,15H2,(H,17,18)
InChIKeyFHTROQHBFAOJIG-UHFFFAOYSA-N
MW354.15 g/mol
LogP3.32
Rot. Bonds3

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

2-amino-5-(4-iodoanilino)benzoic acid (PubChem CID 60988591) has the molecular formula C13H11IN2O2 and a molecular weight of 354.15 g/mol. Its IUPAC name is 2-amino-5-(4-iodoanilino)benzoic acid.

Molecular Properties

Compound Name2-amino-5-(4-iodoanilino)benzoic acid
PubChem CID60988591
Molecular FormulaC13H11IN2O2
Molecular Weight354.15 g/mol
Exact Mass353.99
IUPAC Name2-amino-5-(4-iodoanilino)benzoic acid
SMILESNc1ccc(Nc2ccc(I)cc2)cc1C(=O)O
InChIInChI=1S/C13H11IN2O2/c14-8-1-3-9(4-2-8)16-10-5-6-12(15)11(7-10)13(17)18/h1-7,16H,15H2,(H,17,18)
InChIKeyFHTROQHBFAOJIG-UHFFFAOYSA-N
XLogP3.32
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.15
LogP ≤ 53.32
H-Bond Donors ≤ 53
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

2-amino-5-(4-bromoanilino)benzoic acid
CID 54887896
2-amino-5-(4-fluoroanilino)benzoic acid
CID 54887987
ethyl 2-amino-5-(4-iodoanilino)benzoate
CID 63425715
2-amino-5-(4-methylsulfonylanilino)benzoic acid
CID 60989498
2-amino-5-(4-iodophenoxy)benzoic acid
CID 60987724
2-amino-5-(4-bromo-3-methylanilino)benzoic acid
CID 60990156
2-amino-4-(4-bromoanilino)benzoic acid
CID 104500151
2-amino-5-(4-bromoanilino)benzamide
CID 61306724
2-amino-5-(4-iodophenyl)sulfanylbenzoic acid
CID 91879941
2-amino-5-(2,4,6-trimethylanilino)benzoic acid
CID 60988908
methyl 2-amino-5-(3-iodoanilino)benzoate
CID 63425538
2-amino-5-(4-fluoro-3-methylanilino)benzamide
CID 62814148

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(4-iodoanilino)benzoic acid?
The IUPAC name of 2-amino-5-(4-iodoanilino)benzoic acid (CID 60988591) is 2-amino-5-(4-iodoanilino)benzoic acid.
What is the SMILES notation for 2-amino-5-(4-iodoanilino)benzoic acid?
The canonical SMILES for 2-amino-5-(4-iodoanilino)benzoic acid is Nc1ccc(Nc2ccc(I)cc2)cc1C(=O)O.
What is the InChIKey of 2-amino-5-(4-iodoanilino)benzoic acid?
The InChIKey is FHTROQHBFAOJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IN2O2/c14-8-1-3-9(4-2-8)16-10-5-6-12(15)11(7-10)13(17)18/h1-7,16H,15H2,(H,17,18).
What are the key properties of 2-amino-5-(4-iodoanilino)benzoic acid?
2-amino-5-(4-iodoanilino)benzoic acid has a molecular weight of 354.15 g/mol, XLogP of 3.32, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(4-iodoanilino)benzoic acid is sourced from PubChem (CID 60988591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).