4-fluoro-3-hydroxy-5-iodobenzoic acid

C7H4FIO3 — CID 118684762

IUPAC4-fluoro-3-hydroxy-5-iodobenzoic acid
SMILESO=C(O)c1cc(O)c(F)c(I)c1
InChIInChI=1S/C7H4FIO3/c8-6-4(9)1-3(7(11)12)2-5(6)10/h1-2,10H,(H,11,12)
InChIKeyBHARHZSLWIBXIW-UHFFFAOYSA-N
MW282.01 g/mol
LogP1.83
Rot. Bonds1

About 4-fluoro-3-hydroxy-5-iodobenzoic acid

4-fluoro-3-hydroxy-5-iodobenzoic acid (PubChem CID 118684762) has the molecular formula C7H4FIO3 and a molecular weight of 282.01 g/mol. Its IUPAC name is 4-fluoro-3-hydroxy-5-iodobenzoic acid.

Molecular Properties

Compound Name4-fluoro-3-hydroxy-5-iodobenzoic acid
PubChem CID118684762
Molecular FormulaC7H4FIO3
Molecular Weight282.01 g/mol
Exact Mass281.92
IUPAC Name4-fluoro-3-hydroxy-5-iodobenzoic acid
SMILESO=C(O)c1cc(O)c(F)c(I)c1
InChIInChI=1S/C7H4FIO3/c8-6-4(9)1-3(7(11)12)2-5(6)10/h1-2,10H,(H,11,12)
InChIKeyBHARHZSLWIBXIW-UHFFFAOYSA-N
XLogP1.83
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.01
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,4-difluoro-5-iodobenzoic acid
CID 130053511
4-hydroxy-3,5-diiodobenzoic acid
CID 12065
3-fluoro-4,5-diiodobenzoic acid
CID 130839523
3,4,5-trihydroxybenzoic acid
CID 370
benzene-1,3,5-tricarboxylic acid;2,3,4,5,6-pentafluorophenol
CID 158155753
4-hydroxy-3-iodo-5-(trifluoromethyl)benzoic acid
CID 123218137
CID 173368262
CID 173368262
silane;3,4,5-trihydroxybenzoic acid
CID 174840630
silver;3,4,5-trihydroxybenzoic acid
CID 87285421
benzene-1,3,5-tricarboxylic acid;3,4,5-trihydroxybenzoic acid
CID 174934845
bismuthane;copper;3,4,5-trihydroxybenzoic acid
CID 175210163
magnesium;hydride;3,4,5-trihydroxybenzoic acid
CID 173071823

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-hydroxy-5-iodobenzoic acid?
The IUPAC name of 4-fluoro-3-hydroxy-5-iodobenzoic acid (CID 118684762) is 4-fluoro-3-hydroxy-5-iodobenzoic acid.
What is the SMILES notation for 4-fluoro-3-hydroxy-5-iodobenzoic acid?
The canonical SMILES for 4-fluoro-3-hydroxy-5-iodobenzoic acid is O=C(O)c1cc(O)c(F)c(I)c1.
What is the InChIKey of 4-fluoro-3-hydroxy-5-iodobenzoic acid?
The InChIKey is BHARHZSLWIBXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FIO3/c8-6-4(9)1-3(7(11)12)2-5(6)10/h1-2,10H,(H,11,12).
What are the key properties of 4-fluoro-3-hydroxy-5-iodobenzoic acid?
4-fluoro-3-hydroxy-5-iodobenzoic acid has a molecular weight of 282.01 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-hydroxy-5-iodobenzoic acid is sourced from PubChem (CID 118684762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).