ethyl 2-(5-fluoro-4-iodo-2-pyridinyl)acetate

C9H9FINO2 — CID 133096810

IUPACethyl 2-(5-fluoro-4-iodo-2-pyridinyl)acetate
SMILESCCOC(=O)Cc1cc(I)c(F)cn1
InChIInChI=1S/C9H9FINO2/c1-2-14-9(13)4-6-3-8(11)7(10)5-12-6/h3,5H,2,4H2,1H3
InChIKeyVEFFXMLSZWXNEV-UHFFFAOYSA-N
MW309.08 g/mol
LogP1.93
Rot. Bonds3

About ethyl 2-(5-fluoro-4-iodo-2-pyridinyl)acetate

ethyl 2-(5-fluoro-4-iodo-2-pyridinyl)acetate (PubChem CID 133096810) has the molecular formula C9H9FINO2 and a molecular weight of 309.08 g/mol. Its IUPAC name is ethyl 2-(5-fluoro-4-iodo-2-pyridinyl)acetate.

Molecular Properties

Compound Nameethyl 2-(5-fluoro-4-iodo-2-pyridinyl)acetate
PubChem CID133096810
Molecular FormulaC9H9FINO2
Molecular Weight309.08 g/mol
Exact Mass308.97
IUPAC Nameethyl 2-(5-fluoro-4-iodo-2-pyridinyl)acetate
SMILESCCOC(=O)Cc1cc(I)c(F)cn1
InChIInChI=1S/C9H9FINO2/c1-2-14-9(13)4-6-3-8(11)7(10)5-12-6/h3,5H,2,4H2,1H3
InChIKeyVEFFXMLSZWXNEV-UHFFFAOYSA-N
XLogP1.93
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.08
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-(5-fluoro-4-iodo-2-pyridinyl)acetate 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

ethyl 2-(5-amino-4-methyl-2-pyridinyl)acetate
CID 133098372
ethyl 2-(4-bromo-5-chloro-2-pyridinyl)acetate
CID 133098224
ethyl 2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
CID 134685508
ethyl 2-(5-amino-3-fluoro-2-pyridinyl)acetate
CID 133096784
ethyl 2-[4-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 134676140
ethyl 2-(2-cyano-5-fluoro-4-pyridinyl)acetate
CID 133097564
ethyl 2-[5-(chloromethyl)-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
CID 133100969
ethyl 2-[3-(aminomethyl)-2-(difluoromethyl)-5-iodo-4-pyridinyl]acetate
CID 133101275
ethyl 2-[4-fluoro-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133096696
ethyl 2-[5-cyano-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
CID 134686470
ethyl 2-[4-iodo-6-(trifluoromethoxy)-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 134679428
ethyl 2-[6-(difluoromethyl)-4-iodo-5-nitro-2-pyridinyl]acetate
CID 133100905

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-fluoro-4-iodo-2-pyridinyl)acetate?
The IUPAC name of ethyl 2-(5-fluoro-4-iodo-2-pyridinyl)acetate (CID 133096810) is ethyl 2-(5-fluoro-4-iodo-2-pyridinyl)acetate.
What is the SMILES notation for ethyl 2-(5-fluoro-4-iodo-2-pyridinyl)acetate?
The canonical SMILES for ethyl 2-(5-fluoro-4-iodo-2-pyridinyl)acetate is CCOC(=O)Cc1cc(I)c(F)cn1.
What is the InChIKey of ethyl 2-(5-fluoro-4-iodo-2-pyridinyl)acetate?
The InChIKey is VEFFXMLSZWXNEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FINO2/c1-2-14-9(13)4-6-3-8(11)7(10)5-12-6/h3,5H,2,4H2,1H3.
What are the key properties of ethyl 2-(5-fluoro-4-iodo-2-pyridinyl)acetate?
ethyl 2-(5-fluoro-4-iodo-2-pyridinyl)acetate has a molecular weight of 309.08 g/mol, XLogP of 1.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-fluoro-4-iodo-2-pyridinyl)acetate is sourced from PubChem (CID 133096810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).