ethyl 2-[2-(difluoromethyl)-3-iodo-6-methyl-4-pyridinyl]acetate

C11H12F2INO2 — CID 133101161

IUPACethyl 2-[2-(difluoromethyl)-3-iodo-6-methyl-4-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(C)nc(C(F)F)c1I
InChIInChI=1S/C11H12F2INO2/c1-3-17-8(16)5-7-4-6(2)15-10(9(7)14)11(12)13/h4,11H,3,5H2,1-2H3
InChIKeyUQGQYWJTWRQVAI-UHFFFAOYSA-N
MW355.12 g/mol
LogP3.04
Rot. Bonds4

About ethyl 2-[2-(difluoromethyl)-3-iodo-6-methyl-4-pyridinyl]acetate

ethyl 2-[2-(difluoromethyl)-3-iodo-6-methyl-4-pyridinyl]acetate (PubChem CID 133101161) has the molecular formula C11H12F2INO2 and a molecular weight of 355.12 g/mol. Its IUPAC name is ethyl 2-[2-(difluoromethyl)-3-iodo-6-methyl-4-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(difluoromethyl)-3-iodo-6-methyl-4-pyridinyl]acetate
PubChem CID133101161
Molecular FormulaC11H12F2INO2
Molecular Weight355.12 g/mol
Exact Mass354.99
IUPAC Nameethyl 2-[2-(difluoromethyl)-3-iodo-6-methyl-4-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(C)nc(C(F)F)c1I
InChIInChI=1S/C11H12F2INO2/c1-3-17-8(16)5-7-4-6(2)15-10(9(7)14)11(12)13/h4,11H,3,5H2,1-2H3
InChIKeyUQGQYWJTWRQVAI-UHFFFAOYSA-N
XLogP3.04
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.12
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethyl 2-[2-(difluoromethyl)-3-iodo-6-methyl-4-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-[2-(difluoromethyl)-3,6-diiodo-4-pyridinyl]acetate
CID 134661762
ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 133100722
ethyl 2-[5-(difluoromethyl)-2-fluoro-6-iodo-3-pyridinyl]acetate
CID 133105380
ethyl 2-[3-(difluoromethyl)-6-methyl-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 171029313
ethyl 2-[2-(aminomethyl)-6-(difluoromethyl)-5-hydroxy-3-pyridinyl]acetate
CID 133102537
ethyl 2-[6-(aminomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134669121
ethyl 2-[6-amino-5-(aminomethyl)-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134664484
ethyl 2-[2-amino-5-(aminomethyl)-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134683900
ethyl 2-[2-(difluoromethyl)-6-iodo-4-pyridinyl]acetate
CID 134673422
ethyl 2-[5-cyano-2-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 133091237
ethyl 2-[6-(difluoromethyl)-2,5-difluoro-3-pyridinyl]acetate
CID 134661756
ethyl 2-[6-(difluoromethyl)-5-hydroxy-2-methyl-3-pyridinyl]acetate
CID 133102899

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(difluoromethyl)-3-iodo-6-methyl-4-pyridinyl]acetate?
The IUPAC name of ethyl 2-[2-(difluoromethyl)-3-iodo-6-methyl-4-pyridinyl]acetate (CID 133101161) is ethyl 2-[2-(difluoromethyl)-3-iodo-6-methyl-4-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[2-(difluoromethyl)-3-iodo-6-methyl-4-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[2-(difluoromethyl)-3-iodo-6-methyl-4-pyridinyl]acetate is CCOC(=O)Cc1cc(C)nc(C(F)F)c1I.
What is the InChIKey of ethyl 2-[2-(difluoromethyl)-3-iodo-6-methyl-4-pyridinyl]acetate?
The InChIKey is UQGQYWJTWRQVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2INO2/c1-3-17-8(16)5-7-4-6(2)15-10(9(7)14)11(12)13/h4,11H,3,5H2,1-2H3.
What are the key properties of ethyl 2-[2-(difluoromethyl)-3-iodo-6-methyl-4-pyridinyl]acetate?
ethyl 2-[2-(difluoromethyl)-3-iodo-6-methyl-4-pyridinyl]acetate has a molecular weight of 355.12 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(difluoromethyl)-3-iodo-6-methyl-4-pyridinyl]acetate is sourced from PubChem (CID 133101161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).