2-(2-carboxy-4-iodophenyl)tellanyl-5-iodobenzoic acid

C14H8I2O4Te — CID 155567335

IUPAC2-(2-carboxy-4-iodophenyl)tellanyl-5-iodobenzoic acid
SMILESO=C(O)c1cc(I)ccc1[Te]c1ccc(I)cc1C(=O)O
InChIInChI=1S/C14H8I2O4Te/c15-7-1-3-11(9(5-7)13(17)18)21-12-4-2-8(16)6-10(12)14(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKeyPUFMFKDHUVZZBF-UHFFFAOYSA-N
MW621.62 g/mol
LogP1.95
Rot. Bonds4

About 2-(2-carboxy-4-iodophenyl)tellanyl-5-iodobenzoic acid

2-(2-carboxy-4-iodophenyl)tellanyl-5-iodobenzoic acid (PubChem CID 155567335) has the molecular formula C14H8I2O4Te and a molecular weight of 621.62 g/mol. Its IUPAC name is 2-(2-carboxy-4-iodophenyl)tellanyl-5-iodobenzoic acid.

Molecular Properties

Compound Name2-(2-carboxy-4-iodophenyl)tellanyl-5-iodobenzoic acid
PubChem CID155567335
Molecular FormulaC14H8I2O4Te
Molecular Weight621.62 g/mol
Exact Mass623.76
IUPAC Name2-(2-carboxy-4-iodophenyl)tellanyl-5-iodobenzoic acid
SMILESO=C(O)c1cc(I)ccc1[Te]c1ccc(I)cc1C(=O)O
InChIInChI=1S/C14H8I2O4Te/c15-7-1-3-11(9(5-7)13(17)18)21-12-4-2-8(16)6-10(12)14(19)20/h1-6H,(H,17,18)(H,19,20)
InChIKeyPUFMFKDHUVZZBF-UHFFFAOYSA-N
XLogP1.95
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500621.62
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Benzoic Acid
CID 243
Benzoyl Peroxide
CID 7187
Terephthalic Acid
CID 7489
Isophthalic Acid
CID 8496
P-Toluic Acid
CID 7470
2-Methylbenzoic acid
CID 8373
p-(Chloromercuri)benzoic acid
CID 1730
2,3,5-Triiodobenzoic acid
CID 6948
4-Iodobenzoic acid
CID 12085
3-Methylbenzoic acid
CID 7418
(1,1'-Biphenyl)-4-carboxylic acid
CID 66724
Homophthalic acid
CID 66643

Frequently Asked Questions

What is the IUPAC name of 2-(2-carboxy-4-iodophenyl)tellanyl-5-iodobenzoic acid?
The IUPAC name of 2-(2-carboxy-4-iodophenyl)tellanyl-5-iodobenzoic acid (CID 155567335) is 2-(2-carboxy-4-iodophenyl)tellanyl-5-iodobenzoic acid.
What is the SMILES notation for 2-(2-carboxy-4-iodophenyl)tellanyl-5-iodobenzoic acid?
The canonical SMILES for 2-(2-carboxy-4-iodophenyl)tellanyl-5-iodobenzoic acid is O=C(O)c1cc(I)ccc1[Te]c1ccc(I)cc1C(=O)O.
What is the InChIKey of 2-(2-carboxy-4-iodophenyl)tellanyl-5-iodobenzoic acid?
The InChIKey is PUFMFKDHUVZZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8I2O4Te/c15-7-1-3-11(9(5-7)13(17)18)21-12-4-2-8(16)6-10(12)14(19)20/h1-6H,(H,17,18)(H,19,20).
What are the key properties of 2-(2-carboxy-4-iodophenyl)tellanyl-5-iodobenzoic acid?
2-(2-carboxy-4-iodophenyl)tellanyl-5-iodobenzoic acid has a molecular weight of 621.62 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carboxy-4-iodophenyl)tellanyl-5-iodobenzoic acid is sourced from PubChem (CID 155567335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).