ethyl 2-[4-(difluoromethyl)-6-iodo-5-methyl-2-pyridinyl]acetate

C11H12F2INO2 — CID 133101348

IUPACethyl 2-[4-(difluoromethyl)-6-iodo-5-methyl-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(C(F)F)c(C)c(I)n1
InChIInChI=1S/C11H12F2INO2/c1-3-17-9(16)5-7-4-8(10(12)13)6(2)11(14)15-7/h4,10H,3,5H2,1-2H3
InChIKeyUFTXTKHDWBRGCB-UHFFFAOYSA-N
MW355.12 g/mol
LogP3.04
Rot. Bonds4

About ethyl 2-[4-(difluoromethyl)-6-iodo-5-methyl-2-pyridinyl]acetate

ethyl 2-[4-(difluoromethyl)-6-iodo-5-methyl-2-pyridinyl]acetate (PubChem CID 133101348) has the molecular formula C11H12F2INO2 and a molecular weight of 355.12 g/mol. Its IUPAC name is ethyl 2-[4-(difluoromethyl)-6-iodo-5-methyl-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(difluoromethyl)-6-iodo-5-methyl-2-pyridinyl]acetate
PubChem CID133101348
Molecular FormulaC11H12F2INO2
Molecular Weight355.12 g/mol
Exact Mass354.99
IUPAC Nameethyl 2-[4-(difluoromethyl)-6-iodo-5-methyl-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(C(F)F)c(C)c(I)n1
InChIInChI=1S/C11H12F2INO2/c1-3-17-9(16)5-7-4-8(10(12)13)6(2)11(14)15-7/h4,10H,3,5H2,1-2H3
InChIKeyUFTXTKHDWBRGCB-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': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[5-amino-4-(difluoromethyl)-6-iodo-2-pyridinyl]acetate
CID 134684588
ethyl 2-[5-bromo-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134675410
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-[6-(aminomethyl)-5-bromo-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134686052
ethyl 2-[6-amino-4-(difluoromethyl)-2-iodo-3-pyridinyl]acetate
CID 134684743
ethyl 2-[5-chloro-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
CID 134685508
ethyl 2-[5-chloro-6-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 171029621
ethyl 2-[2-cyano-5-(difluoromethyl)-6-iodo-3-pyridinyl]acetate
CID 134685014
ethyl 2-[5-(chloromethyl)-6-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
CID 133100969
ethyl 2-[4-(difluoromethyl)-6-fluoro-2-pyridinyl]acetate
CID 133090974
ethyl 2-[6-bromo-5-(difluoromethyl)-3-iodo-2-pyridinyl]acetate
CID 134675103

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(difluoromethyl)-6-iodo-5-methyl-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[4-(difluoromethyl)-6-iodo-5-methyl-2-pyridinyl]acetate (CID 133101348) is ethyl 2-[4-(difluoromethyl)-6-iodo-5-methyl-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[4-(difluoromethyl)-6-iodo-5-methyl-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[4-(difluoromethyl)-6-iodo-5-methyl-2-pyridinyl]acetate is CCOC(=O)Cc1cc(C(F)F)c(C)c(I)n1.
What is the InChIKey of ethyl 2-[4-(difluoromethyl)-6-iodo-5-methyl-2-pyridinyl]acetate?
The InChIKey is UFTXTKHDWBRGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2INO2/c1-3-17-9(16)5-7-4-8(10(12)13)6(2)11(14)15-7/h4,10H,3,5H2,1-2H3.
What are the key properties of ethyl 2-[4-(difluoromethyl)-6-iodo-5-methyl-2-pyridinyl]acetate?
ethyl 2-[4-(difluoromethyl)-6-iodo-5-methyl-2-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-[4-(difluoromethyl)-6-iodo-5-methyl-2-pyridinyl]acetate is sourced from PubChem (CID 133101348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).