methyl 2-fluoro-5-iodobenzoate

C8H6FIO2 — CID 24820379

IUPACmethyl 2-fluoro-5-iodobenzoate
SMILESCOC(=O)c1cc(I)ccc1F
InChIInChI=1S/C8H6FIO2/c1-12-8(11)6-4-5(10)2-3-7(6)9/h2-4H,1H3
InChIKeyKJGDRMNKJLVWNQ-UHFFFAOYSA-N
MW280.04 g/mol
LogP2.22
Rot. Bonds1

About methyl 2-fluoro-5-iodobenzoate

methyl 2-fluoro-5-iodobenzoate (PubChem CID 24820379) has the molecular formula C8H6FIO2 and a molecular weight of 280.04 g/mol. Its IUPAC name is methyl 2-fluoro-5-iodobenzoate.

Molecular Properties

Compound Namemethyl 2-fluoro-5-iodobenzoate
PubChem CID24820379
Molecular FormulaC8H6FIO2
Molecular Weight280.04 g/mol
Exact Mass279.94
IUPAC Namemethyl 2-fluoro-5-iodobenzoate
SMILESCOC(=O)c1cc(I)ccc1F
InChIInChI=1S/C8H6FIO2/c1-12-8(11)6-4-5(10)2-3-7(6)9/h2-4H,1H3
InChIKeyKJGDRMNKJLVWNQ-UHFFFAOYSA-N
XLogP2.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.04
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze methyl 2-fluoro-5-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

azane;methyl 2-amino-5-iodobenzoate
CID 122622802
methyl 2-[(3,4-difluorophenyl)methoxy]-5-iodobenzoate
CID 72698508
methyl 2-(2-aminoethyl)-5-iodobenzoate
CID 44828945
argon;methyl 2-hydroxy-4-iodobenzoate
CID 159067231
methyl 5-iodo-2-(2-methoxy-2-oxoethyl)benzoate
CID 15373786
methyl 2-(aminomethyl)-5-iodobenzoate
CID 44828946
methyl 5-cyclopropyl-2-fluorobenzoate
CID 126696591
methyl 2-fluoro-5-(2-oxoethyl)benzoate
CID 57443298
methyl 2-[(4-fluorophenyl)methoxy]-5-iodobenzoate
CID 67106887
sodium;methyl 2-amino-4-iodobenzoate;hydroxide
CID 172735794
methyl 2-fluoro-5-iodopyridine-3-carboxylate
CID 130882926
2-(4-fluoro-3-methoxycarbonylphenyl)prop-2-enoic acid
CID 175964805

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-5-iodobenzoate?
The IUPAC name of methyl 2-fluoro-5-iodobenzoate (CID 24820379) is methyl 2-fluoro-5-iodobenzoate.
What is the SMILES notation for methyl 2-fluoro-5-iodobenzoate?
The canonical SMILES for methyl 2-fluoro-5-iodobenzoate is COC(=O)c1cc(I)ccc1F.
What is the InChIKey of methyl 2-fluoro-5-iodobenzoate?
The InChIKey is KJGDRMNKJLVWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FIO2/c1-12-8(11)6-4-5(10)2-3-7(6)9/h2-4H,1H3.
What are the key properties of methyl 2-fluoro-5-iodobenzoate?
methyl 2-fluoro-5-iodobenzoate has a molecular weight of 280.04 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-5-iodobenzoate is sourced from PubChem (CID 24820379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).