4-amino-2-bromo-6-iodobenzoic acid

C7H5BrINO2 — CID 166642106

IUPAC4-amino-2-bromo-6-iodobenzoic acid
SMILESNc1cc(Br)c(C(=O)O)c(I)c1
InChIInChI=1S/C7H5BrINO2/c8-4-1-3(10)2-5(9)6(4)7(11)12/h1-2H,10H2,(H,11,12)
InChIKeyMZLWXGAUWZROLY-UHFFFAOYSA-N
MW341.93 g/mol
LogP2.33
Rot. Bonds1

About 4-amino-2-bromo-6-iodobenzoic acid

4-amino-2-bromo-6-iodobenzoic acid (PubChem CID 166642106) has the molecular formula C7H5BrINO2 and a molecular weight of 341.93 g/mol. Its IUPAC name is 4-amino-2-bromo-6-iodobenzoic acid.

Molecular Properties

Compound Name4-amino-2-bromo-6-iodobenzoic acid
PubChem CID166642106
Molecular FormulaC7H5BrINO2
Molecular Weight341.93 g/mol
Exact Mass340.85
IUPAC Name4-amino-2-bromo-6-iodobenzoic acid
SMILESNc1cc(Br)c(C(=O)O)c(I)c1
InChIInChI=1S/C7H5BrINO2/c8-4-1-3(10)2-5(9)6(4)7(11)12/h1-2H,10H2,(H,11,12)
InChIKeyMZLWXGAUWZROLY-UHFFFAOYSA-N
XLogP2.33
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.93
LogP ≤ 52.33
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-2-bromo-6-iodobenzoic acid?
The IUPAC name of 4-amino-2-bromo-6-iodobenzoic acid (CID 166642106) is 4-amino-2-bromo-6-iodobenzoic acid.
What is the SMILES notation for 4-amino-2-bromo-6-iodobenzoic acid?
The canonical SMILES for 4-amino-2-bromo-6-iodobenzoic acid is Nc1cc(Br)c(C(=O)O)c(I)c1.
What is the InChIKey of 4-amino-2-bromo-6-iodobenzoic acid?
The InChIKey is MZLWXGAUWZROLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrINO2/c8-4-1-3(10)2-5(9)6(4)7(11)12/h1-2H,10H2,(H,11,12).
What are the key properties of 4-amino-2-bromo-6-iodobenzoic acid?
4-amino-2-bromo-6-iodobenzoic acid has a molecular weight of 341.93 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-bromo-6-iodobenzoic acid is sourced from PubChem (CID 166642106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).