2-amino-5-iodobenzoate

C7H5INO2- — CID 6919461

IUPAC2-amino-5-iodobenzoate
SMILESNc1ccc(I)cc1C(=O)[O-]
InChIInChI=1S/C7H6INO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)/p-1
InChIKeyGOLGILSVWFKZRQ-UHFFFAOYSA-M
MW262.03 g/mol
LogP0.24
Rot. Bonds1

About 2-amino-5-iodobenzoate

2-amino-5-iodobenzoate (PubChem CID 6919461) has the molecular formula C7H5INO2- and a molecular weight of 262.03 g/mol. Its IUPAC name is 2-amino-5-iodobenzoate.

Molecular Properties

Compound Name2-amino-5-iodobenzoate
PubChem CID6919461
Molecular FormulaC7H5INO2-
Molecular Weight262.03 g/mol
Exact Mass261.94
IUPAC Name2-amino-5-iodobenzoate
SMILESNc1ccc(I)cc1C(=O)[O-]
InChIInChI=1S/C7H6INO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)/p-1
InChIKeyGOLGILSVWFKZRQ-UHFFFAOYSA-M
XLogP0.24
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.03
LogP ≤ 50.24
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-iodobenzoate?
The IUPAC name of 2-amino-5-iodobenzoate (CID 6919461) is 2-amino-5-iodobenzoate.
What is the SMILES notation for 2-amino-5-iodobenzoate?
The canonical SMILES for 2-amino-5-iodobenzoate is Nc1ccc(I)cc1C(=O)[O-].
What is the InChIKey of 2-amino-5-iodobenzoate?
The InChIKey is GOLGILSVWFKZRQ-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6INO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)/p-1.
What are the key properties of 2-amino-5-iodobenzoate?
2-amino-5-iodobenzoate has a molecular weight of 262.03 g/mol, XLogP of 0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-iodobenzoate is sourced from PubChem (CID 6919461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).