potassium 2-(4-amino-3,5-diiodophenyl)acetic acid

C8H7I2KNO2+ — CID 54609109

IUPACpotassium 2-(4-amino-3,5-diiodophenyl)acetic acid
SMILESNc1c(I)cc(CC(=O)O)cc1I.[K+]
InChIInChI=1S/C8H7I2NO2.K/c9-5-1-4(3-7(12)13)2-6(10)8(5)11;/h1-2H,3,11H2,(H,12,13);/q;+1
InChIKeyVMCLWZJENSGTGP-UHFFFAOYSA-N
MW442.06 g/mol
LogP-0.89
Rot. Bonds2

About potassium 2-(4-amino-3,5-diiodophenyl)acetic acid

potassium 2-(4-amino-3,5-diiodophenyl)acetic acid (PubChem CID 54609109) has the molecular formula C8H7I2KNO2+ and a molecular weight of 442.06 g/mol. Its IUPAC name is potassium 2-(4-amino-3,5-diiodophenyl)acetic acid.

Molecular Properties

Compound Namepotassium 2-(4-amino-3,5-diiodophenyl)acetic acid
PubChem CID54609109
Molecular FormulaC8H7I2KNO2+
Molecular Weight442.06 g/mol
Exact Mass441.82
IUPAC Namepotassium 2-(4-amino-3,5-diiodophenyl)acetic acid
SMILESNc1c(I)cc(CC(=O)O)cc1I.[K+]
InChIInChI=1S/C8H7I2NO2.K/c9-5-1-4(3-7(12)13)2-6(10)8(5)11;/h1-2H,3,11H2,(H,12,13);/q;+1
InChIKeyVMCLWZJENSGTGP-UHFFFAOYSA-N
XLogP-0.89
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.06
LogP ≤ 5-0.89
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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Related Compounds

2-(3,5-diamino-4-chlorophenyl)acetic acid
CID 70542529
2-(3,4-diamino-5-methylphenyl)acetic acid
CID 171013665
2-(2-amino-3-iodophenyl)acetic acid
CID 91873765
2-[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]acetic acid;methane
CID 158922193
2-(3-iodo-4-methoxyphenyl)acetic acid
CID 13353983
2-(3-amino-4,5-dibromophenyl)acetic acid
CID 171033980
2-(2-amino-4-bromo-5-iodophenyl)acetic acid
CID 171033950
2-[3-amino-5-(carboxymethyl)-2,4-diethylphenyl]acetic acid
CID 150696668
2-[3-iodo-4-(2,2,2-trifluoroethyl)phenyl]acetic acid
CID 91883200
2-[(4-amino-3,5-diiodophenyl)methyl]hexanoic acid
CID 154154251
2-(3,5-dimethylphenyl)acetic acid;ethane
CID 143170600
2-(4-amino-3-chloro-5-methoxyphenyl)acetic acid
CID 91620100

Frequently Asked Questions

What is the IUPAC name of potassium 2-(4-amino-3,5-diiodophenyl)acetic acid?
The IUPAC name of potassium 2-(4-amino-3,5-diiodophenyl)acetic acid (CID 54609109) is potassium 2-(4-amino-3,5-diiodophenyl)acetic acid.
What is the SMILES notation for potassium 2-(4-amino-3,5-diiodophenyl)acetic acid?
The canonical SMILES for potassium 2-(4-amino-3,5-diiodophenyl)acetic acid is Nc1c(I)cc(CC(=O)O)cc1I.[K+].
What is the InChIKey of potassium 2-(4-amino-3,5-diiodophenyl)acetic acid?
The InChIKey is VMCLWZJENSGTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7I2NO2.K/c9-5-1-4(3-7(12)13)2-6(10)8(5)11;/h1-2H,3,11H2,(H,12,13);/q;+1.
What are the key properties of potassium 2-(4-amino-3,5-diiodophenyl)acetic acid?
potassium 2-(4-amino-3,5-diiodophenyl)acetic acid has a molecular weight of 442.06 g/mol, XLogP of -0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for potassium 2-(4-amino-3,5-diiodophenyl)acetic acid is sourced from PubChem (CID 54609109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).