ethyl 2-[3-iodo-6-(trifluoromethyl)-2-pyridinyl]acetate

C10H9F3INO2 — CID 125129375

IUPACethyl 2-[3-iodo-6-(trifluoromethyl)-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1nc(C(F)(F)F)ccc1I
InChIInChI=1S/C10H9F3INO2/c1-2-17-9(16)5-7-6(14)3-4-8(15-7)10(11,12)13/h3-4H,2,5H2,1H3
InChIKeyBUAYIFZLEYZTDS-UHFFFAOYSA-N
MW359.09 g/mol
LogP2.81
Rot. Bonds3

About ethyl 2-[3-iodo-6-(trifluoromethyl)-2-pyridinyl]acetate

ethyl 2-[3-iodo-6-(trifluoromethyl)-2-pyridinyl]acetate (PubChem CID 125129375) has the molecular formula C10H9F3INO2 and a molecular weight of 359.09 g/mol. Its IUPAC name is ethyl 2-[3-iodo-6-(trifluoromethyl)-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-iodo-6-(trifluoromethyl)-2-pyridinyl]acetate
PubChem CID125129375
Molecular FormulaC10H9F3INO2
Molecular Weight359.09 g/mol
Exact Mass358.96
IUPAC Nameethyl 2-[3-iodo-6-(trifluoromethyl)-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1nc(C(F)(F)F)ccc1I
InChIInChI=1S/C10H9F3INO2/c1-2-17-9(16)5-7-6(14)3-4-8(15-7)10(11,12)13/h3-4H,2,5H2,1H3
InChIKeyBUAYIFZLEYZTDS-UHFFFAOYSA-N
XLogP2.81
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.09
LogP ≤ 52.81
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-[5-iodo-6-(trifluoromethyl)-2-pyridinyl]acetate
CID 133096647
ethyl 2-[5-(difluoromethyl)-3-iodo-6-(trifluoromethyl)-2-pyridinyl]acetate
CID 133100169
ethyl 2-[3-iodo-5-methyl-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134665864
2-ethoxy-3-iodo-6-(trifluoromethyl)pyridine
CID 131118413
ethyl 2-[4-iodo-3-nitro-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134678356
ethyl 2-[6-bromo-3-(trifluoromethyl)-2-pyridinyl]acetate
CID 133097922
ethyl 2-[3-(difluoromethyl)-4-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134679122
ethyl 2-[3-(chloromethyl)-4-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134681211
ethyl 2-[5-iodo-4-(trifluoromethyl)-3-pyridinyl]acetate
CID 133096650
ethyl 2-[3-amino-4-(trifluoromethyl)-2-pyridinyl]acetate
CID 133098254
ethyl 2-[2-iodo-3-(trifluoromethyl)-4-pyridinyl]acetate
CID 133096536
ethyl 2-[2-amino-6-(trifluoromethyl)-4-pyridinyl]acetate
CID 133098328

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-iodo-6-(trifluoromethyl)-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[3-iodo-6-(trifluoromethyl)-2-pyridinyl]acetate (CID 125129375) is ethyl 2-[3-iodo-6-(trifluoromethyl)-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[3-iodo-6-(trifluoromethyl)-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[3-iodo-6-(trifluoromethyl)-2-pyridinyl]acetate is CCOC(=O)Cc1nc(C(F)(F)F)ccc1I.
What is the InChIKey of ethyl 2-[3-iodo-6-(trifluoromethyl)-2-pyridinyl]acetate?
The InChIKey is BUAYIFZLEYZTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3INO2/c1-2-17-9(16)5-7-6(14)3-4-8(15-7)10(11,12)13/h3-4H,2,5H2,1H3.
What are the key properties of ethyl 2-[3-iodo-6-(trifluoromethyl)-2-pyridinyl]acetate?
ethyl 2-[3-iodo-6-(trifluoromethyl)-2-pyridinyl]acetate has a molecular weight of 359.09 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-iodo-6-(trifluoromethyl)-2-pyridinyl]acetate is sourced from PubChem (CID 125129375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).