ethyl 2-[4-(difluoromethyl)-3-iodo-5-methyl-2-pyridinyl]acetate

C11H12F2INO2 — CID 133101258

IUPACethyl 2-[4-(difluoromethyl)-3-iodo-5-methyl-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1ncc(C)c(C(F)F)c1I
InChIInChI=1S/C11H12F2INO2/c1-3-17-8(16)4-7-10(14)9(11(12)13)6(2)5-15-7/h5,11H,3-4H2,1-2H3
InChIKeyIFSVJGXGQXYNKI-UHFFFAOYSA-N
MW355.12 g/mol
LogP3.04
Rot. Bonds4

About ethyl 2-[4-(difluoromethyl)-3-iodo-5-methyl-2-pyridinyl]acetate

ethyl 2-[4-(difluoromethyl)-3-iodo-5-methyl-2-pyridinyl]acetate (PubChem CID 133101258) has the molecular formula C11H12F2INO2 and a molecular weight of 355.12 g/mol. Its IUPAC name is ethyl 2-[4-(difluoromethyl)-3-iodo-5-methyl-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-(difluoromethyl)-3-iodo-5-methyl-2-pyridinyl]acetate
PubChem CID133101258
Molecular FormulaC11H12F2INO2
Molecular Weight355.12 g/mol
Exact Mass354.99
IUPAC Nameethyl 2-[4-(difluoromethyl)-3-iodo-5-methyl-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1ncc(C)c(C(F)F)c1I
InChIInChI=1S/C11H12F2INO2/c1-3-17-8(16)4-7-10(14)9(11(12)13)6(2)5-15-7/h5,11H,3-4H2,1-2H3
InChIKeyIFSVJGXGQXYNKI-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'}

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Related Compounds

ethyl 2-[3-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 134667668
ethyl 2-[4-(difluoromethyl)-5-methyl-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 171029305
ethyl 2-[5-(difluoromethyl)-3-iodo-4-methoxy-2-pyridinyl]acetate
CID 133102073
ethyl 2-(aminomethyl)-4-(difluoromethyl)-5-methylpyridine-3-carboxylate
CID 133098516
ethyl 2-[3-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]acetate
CID 133101760
ethyl 2-[3-(chloromethyl)-5-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
CID 133101094
ethyl 2-[5-bromo-3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134683899
ethyl 2-[4-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate
CID 133085357
ethyl 2-[3-amino-5-cyano-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134662400
ethyl 2-[3-cyano-5-(difluoromethyl)-4-iodo-2-pyridinyl]acetate
CID 134674392
ethyl 2-[6-amino-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetate
CID 134670432
ethyl 2-[3-amino-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134671268

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(difluoromethyl)-3-iodo-5-methyl-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[4-(difluoromethyl)-3-iodo-5-methyl-2-pyridinyl]acetate (CID 133101258) is ethyl 2-[4-(difluoromethyl)-3-iodo-5-methyl-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[4-(difluoromethyl)-3-iodo-5-methyl-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[4-(difluoromethyl)-3-iodo-5-methyl-2-pyridinyl]acetate is CCOC(=O)Cc1ncc(C)c(C(F)F)c1I.
What is the InChIKey of ethyl 2-[4-(difluoromethyl)-3-iodo-5-methyl-2-pyridinyl]acetate?
The InChIKey is IFSVJGXGQXYNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2INO2/c1-3-17-8(16)4-7-10(14)9(11(12)13)6(2)5-15-7/h5,11H,3-4H2,1-2H3.
What are the key properties of ethyl 2-[4-(difluoromethyl)-3-iodo-5-methyl-2-pyridinyl]acetate?
ethyl 2-[4-(difluoromethyl)-3-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)-3-iodo-5-methyl-2-pyridinyl]acetate is sourced from PubChem (CID 133101258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).