methyl 4-fluoro-2-hydroxy-6-iodobenzoate

C8H6FIO3 — CID 131271733

IUPACmethyl 4-fluoro-2-hydroxy-6-iodobenzoate
SMILESCOC(=O)c1c(O)cc(F)cc1I
InChIInChI=1S/C8H6FIO3/c1-13-8(12)7-5(10)2-4(9)3-6(7)11/h2-3,11H,1H3
InChIKeyWVFDHNFLPAQYBT-UHFFFAOYSA-N
MW296.04 g/mol
LogP1.92
Rot. Bonds1

About methyl 4-fluoro-2-hydroxy-6-iodobenzoate

methyl 4-fluoro-2-hydroxy-6-iodobenzoate (PubChem CID 131271733) has the molecular formula C8H6FIO3 and a molecular weight of 296.04 g/mol. Its IUPAC name is methyl 4-fluoro-2-hydroxy-6-iodobenzoate.

Molecular Properties

Compound Namemethyl 4-fluoro-2-hydroxy-6-iodobenzoate
PubChem CID131271733
Molecular FormulaC8H6FIO3
Molecular Weight296.04 g/mol
Exact Mass295.93
IUPAC Namemethyl 4-fluoro-2-hydroxy-6-iodobenzoate
SMILESCOC(=O)c1c(O)cc(F)cc1I
InChIInChI=1S/C8H6FIO3/c1-13-8(12)7-5(10)2-4(9)3-6(7)11/h2-3,11H,1H3
InChIKeyWVFDHNFLPAQYBT-UHFFFAOYSA-N
XLogP1.92
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.04
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze methyl 4-fluoro-2-hydroxy-6-iodobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-fluoro-2-hydroxy-6-iodophenyl)ethanone
CID 171016085
methyl 2-fluoro-4,6-diiodobenzoate
CID 130766583
methyl 4-chloro-2,6-diiodobenzoate
CID 130775245
ethyl 4-fluoro-2,6-diiodobenzoate
CID 131074372
methyl 2-bromo-4,6-difluorobenzoate
CID 97290200
dimethyl 2,6-dihydroxybenzene-1,4-dicarboxylate
CID 11790883
methyl 2,6-dibromo-3,5-dihydroxybenzoate
CID 2748027
methyl 2,3,6-trifluoro-4-hydroxybenzoate
CID 131118987
methyl 3,5-difluorobenzoate
CID 2775360
methyl 2-amino-4,6-diiodobenzoate
CID 131028131
methyl 2-fluoro-6-hydroxy-4-methylsulfonylbenzoate
CID 66887484
methyl 2-(bromomethyl)-4-fluoro-6-methoxybenzoate
CID 171017402

Frequently Asked Questions

What is the IUPAC name of methyl 4-fluoro-2-hydroxy-6-iodobenzoate?
The IUPAC name of methyl 4-fluoro-2-hydroxy-6-iodobenzoate (CID 131271733) is methyl 4-fluoro-2-hydroxy-6-iodobenzoate.
What is the SMILES notation for methyl 4-fluoro-2-hydroxy-6-iodobenzoate?
The canonical SMILES for methyl 4-fluoro-2-hydroxy-6-iodobenzoate is COC(=O)c1c(O)cc(F)cc1I.
What is the InChIKey of methyl 4-fluoro-2-hydroxy-6-iodobenzoate?
The InChIKey is WVFDHNFLPAQYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FIO3/c1-13-8(12)7-5(10)2-4(9)3-6(7)11/h2-3,11H,1H3.
What are the key properties of methyl 4-fluoro-2-hydroxy-6-iodobenzoate?
methyl 4-fluoro-2-hydroxy-6-iodobenzoate has a molecular weight of 296.04 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-fluoro-2-hydroxy-6-iodobenzoate is sourced from PubChem (CID 131271733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).