5-(3-carboxy-4-iodobenzoyl)-2-iodobenzoic acid

C15H8I2O5 — CID 144854938

IUPAC5-(3-carboxy-4-iodobenzoyl)-2-iodobenzoic acid
SMILESO=C(c1ccc(I)c(C(=O)O)c1)c1ccc(I)c(C(=O)O)c1
InChIInChI=1S/C15H8I2O5/c16-11-3-1-7(5-9(11)14(19)20)13(18)8-2-4-12(17)10(6-8)15(21)22/h1-6H,(H,19,20)(H,21,22)
InChIKeyYHNHCVDUUCHTBU-UHFFFAOYSA-N
MW522.03 g/mol
LogP3.52
Rot. Bonds4

About 5-(3-carboxy-4-iodobenzoyl)-2-iodobenzoic acid

5-(3-carboxy-4-iodobenzoyl)-2-iodobenzoic acid (PubChem CID 144854938) has the molecular formula C15H8I2O5 and a molecular weight of 522.03 g/mol. Its IUPAC name is 5-(3-carboxy-4-iodobenzoyl)-2-iodobenzoic acid.

Molecular Properties

Compound Name5-(3-carboxy-4-iodobenzoyl)-2-iodobenzoic acid
PubChem CID144854938
Molecular FormulaC15H8I2O5
Molecular Weight522.03 g/mol
Exact Mass521.85
IUPAC Name5-(3-carboxy-4-iodobenzoyl)-2-iodobenzoic acid
SMILESO=C(c1ccc(I)c(C(=O)O)c1)c1ccc(I)c(C(=O)O)c1
InChIInChI=1S/C15H8I2O5/c16-11-3-1-7(5-9(11)14(19)20)13(18)8-2-4-12(17)10(6-8)15(21)22/h1-6H,(H,19,20)(H,21,22)
InChIKeyYHNHCVDUUCHTBU-UHFFFAOYSA-N
XLogP3.52
TPSA91.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.03
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4,5-triiodobenzoic acid
CID 4693340
4,6-bis(4-iodobenzoyl)benzene-1,3-dicarboxylic acid
CID 23586577
2-iodo-5-(methylamino)benzoic acid
CID 131508198
4-[4-[2-[4-(3,4-dicarboxybenzoyl)phenyl]ethyl]benzoyl]phthalic acid
CID 54555161
5-(aminomethyl)-2-iodobenzoic acid;hydrochloride
CID 70281488
5-fluorosulfonyl-2-iodobenzoic acid
CID 166000203
2-iodo-5-nitrobenzoic acid
CID 3848745
4-benzoylphthalic acid;bis(carbon dioxide)
CID 159894307
5-benzamido-2-iodobenzoic acid
CID 2974228
5-(hydroxysulfamoyl)-2-iodobenzoic acid
CID 103962652
4-(3-carboxy-4-propan-2-ylbenzoyl)phthalic acid
CID 138726087
4-cyano-2-iodobenzoic acid
CID 53404296

Frequently Asked Questions

What is the IUPAC name of 5-(3-carboxy-4-iodobenzoyl)-2-iodobenzoic acid?
The IUPAC name of 5-(3-carboxy-4-iodobenzoyl)-2-iodobenzoic acid (CID 144854938) is 5-(3-carboxy-4-iodobenzoyl)-2-iodobenzoic acid.
What is the SMILES notation for 5-(3-carboxy-4-iodobenzoyl)-2-iodobenzoic acid?
The canonical SMILES for 5-(3-carboxy-4-iodobenzoyl)-2-iodobenzoic acid is O=C(c1ccc(I)c(C(=O)O)c1)c1ccc(I)c(C(=O)O)c1.
What is the InChIKey of 5-(3-carboxy-4-iodobenzoyl)-2-iodobenzoic acid?
The InChIKey is YHNHCVDUUCHTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8I2O5/c16-11-3-1-7(5-9(11)14(19)20)13(18)8-2-4-12(17)10(6-8)15(21)22/h1-6H,(H,19,20)(H,21,22).
What are the key properties of 5-(3-carboxy-4-iodobenzoyl)-2-iodobenzoic acid?
5-(3-carboxy-4-iodobenzoyl)-2-iodobenzoic acid has a molecular weight of 522.03 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-carboxy-4-iodobenzoyl)-2-iodobenzoic acid is sourced from PubChem (CID 144854938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).