4-amino-3-iodobenzoic acid

C7H6INO2 — CID 16461

IUPAC4-amino-3-iodobenzoic acid
SMILESNc1ccc(C(=O)O)cc1I
InChIInChI=1S/C7H6INO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,9H2,(H,10,11)
InChIKeyFPLDDZRJTOXFCB-UHFFFAOYSA-N
MW263.03 g/mol
LogP1.57
Rot. Bonds1

About 4-amino-3-iodobenzoic acid

4-amino-3-iodobenzoic acid (PubChem CID 16461) has the molecular formula C7H6INO2 and a molecular weight of 263.03 g/mol. Its IUPAC name is 4-amino-3-iodobenzoic acid.

Molecular Properties

Compound Name4-amino-3-iodobenzoic acid
PubChem CID16461
Molecular FormulaC7H6INO2
Molecular Weight263.03 g/mol
Exact Mass262.94
IUPAC Name4-amino-3-iodobenzoic acid
SMILESNc1ccc(C(=O)O)cc1I
InChIInChI=1S/C7H6INO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,9H2,(H,10,11)
InChIKeyFPLDDZRJTOXFCB-UHFFFAOYSA-N
XLogP1.57
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.03
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-iodobenzoic acid?
The IUPAC name of 4-amino-3-iodobenzoic acid (CID 16461) is 4-amino-3-iodobenzoic acid.
What is the SMILES notation for 4-amino-3-iodobenzoic acid?
The canonical SMILES for 4-amino-3-iodobenzoic acid is Nc1ccc(C(=O)O)cc1I.
What is the InChIKey of 4-amino-3-iodobenzoic acid?
The InChIKey is FPLDDZRJTOXFCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6INO2/c8-5-3-4(7(10)11)1-2-6(5)9/h1-3H,9H2,(H,10,11).
What are the key properties of 4-amino-3-iodobenzoic acid?
4-amino-3-iodobenzoic acid has a molecular weight of 263.03 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-iodobenzoic acid is sourced from PubChem (CID 16461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).