ethyl 2-fluoro-5-iodo-3-methoxybenzoate

C10H10FIO3 — CID 164891233

IUPACethyl 2-fluoro-5-iodo-3-methoxybenzoate
SMILESCCOC(=O)c1cc(I)cc(OC)c1F
InChIInChI=1S/C10H10FIO3/c1-3-15-10(13)7-4-6(12)5-8(14-2)9(7)11/h4-5H,3H2,1-2H3
InChIKeySEPQCOXAGYGWLJ-UHFFFAOYSA-N
MW324.09 g/mol
LogP2.62
Rot. Bonds3

About ethyl 2-fluoro-5-iodo-3-methoxybenzoate

ethyl 2-fluoro-5-iodo-3-methoxybenzoate (PubChem CID 164891233) has the molecular formula C10H10FIO3 and a molecular weight of 324.09 g/mol. Its IUPAC name is ethyl 2-fluoro-5-iodo-3-methoxybenzoate.

Molecular Properties

Compound Nameethyl 2-fluoro-5-iodo-3-methoxybenzoate
PubChem CID164891233
Molecular FormulaC10H10FIO3
Molecular Weight324.09 g/mol
Exact Mass323.97
IUPAC Nameethyl 2-fluoro-5-iodo-3-methoxybenzoate
SMILESCCOC(=O)c1cc(I)cc(OC)c1F
InChIInChI=1S/C10H10FIO3/c1-3-15-10(13)7-4-6(12)5-8(14-2)9(7)11/h4-5H,3H2,1-2H3
InChIKeySEPQCOXAGYGWLJ-UHFFFAOYSA-N
XLogP2.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.09
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-iodo-2,6-dimethoxybenzoate
CID 22933011
ethyl 4,5-diiodo-2-methoxybenzoate
CID 134644512
ethyl 2-fluoro-4,5-dimethoxybenzoate
CID 163198249
ethyl 2,4-diiodo-5-methoxybenzoate
CID 134645167
ethyl 5-ethoxy-2,3-difluoro-4-iodobenzoate
CID 121456257
ethane;ethyl 3-fluoro-4,5-dimethoxy-2-methylbenzoate
CID 178095802
ethyl 2-amino-3-fluoro-4-methoxybenzoate
CID 54595933
ethyl 2,3-difluoro-5-methylbenzoate
CID 122129684
ethyl 3-chloro-5-iodo-2-methylbenzoate
CID 107097679
ethyl 4-methoxythiophene-3-carboxylate
CID 71721051
ethyl 2,3,5-trifluoro-4-hydroxybenzoate
CID 46311393
ethyl 2-(difluoromethyl)-6-iodo-5-methoxypyridine-3-carboxylate
CID 133101859

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-5-iodo-3-methoxybenzoate?
The IUPAC name of ethyl 2-fluoro-5-iodo-3-methoxybenzoate (CID 164891233) is ethyl 2-fluoro-5-iodo-3-methoxybenzoate.
What is the SMILES notation for ethyl 2-fluoro-5-iodo-3-methoxybenzoate?
The canonical SMILES for ethyl 2-fluoro-5-iodo-3-methoxybenzoate is CCOC(=O)c1cc(I)cc(OC)c1F.
What is the InChIKey of ethyl 2-fluoro-5-iodo-3-methoxybenzoate?
The InChIKey is SEPQCOXAGYGWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FIO3/c1-3-15-10(13)7-4-6(12)5-8(14-2)9(7)11/h4-5H,3H2,1-2H3.
What are the key properties of ethyl 2-fluoro-5-iodo-3-methoxybenzoate?
ethyl 2-fluoro-5-iodo-3-methoxybenzoate has a molecular weight of 324.09 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-5-iodo-3-methoxybenzoate is sourced from PubChem (CID 164891233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).