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

C10H10F2INO2 — CID 134673422

IUPACethyl 2-[2-(difluoromethyl)-6-iodo-4-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(I)nc(C(F)F)c1
InChIInChI=1S/C10H10F2INO2/c1-2-16-9(15)5-6-3-7(10(11)12)14-8(13)4-6/h3-4,10H,2,5H2,1H3
InChIKeyZPWSKINCLPIIQT-UHFFFAOYSA-N
MW341.10 g/mol
LogP2.73
Rot. Bonds4

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

ethyl 2-[2-(difluoromethyl)-6-iodo-4-pyridinyl]acetate (PubChem CID 134673422) has the molecular formula C10H10F2INO2 and a molecular weight of 341.10 g/mol. Its IUPAC name is ethyl 2-[2-(difluoromethyl)-6-iodo-4-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(difluoromethyl)-6-iodo-4-pyridinyl]acetate
PubChem CID134673422
Molecular FormulaC10H10F2INO2
Molecular Weight341.10 g/mol
Exact Mass340.97
IUPAC Nameethyl 2-[2-(difluoromethyl)-6-iodo-4-pyridinyl]acetate
SMILESCCOC(=O)Cc1cc(I)nc(C(F)F)c1
InChIInChI=1S/C10H10F2INO2/c1-2-16-9(15)5-6-3-7(10(11)12)14-8(13)4-6/h3-4,10H,2,5H2,1H3
InChIKeyZPWSKINCLPIIQT-UHFFFAOYSA-N
XLogP2.73
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.10
LogP ≤ 52.73
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-[2-(bromomethyl)-6-(difluoromethyl)-4-pyridinyl]acetate
CID 134673251
ethyl 2-[2-(difluoromethyl)-3,6-diiodo-4-pyridinyl]acetate
CID 134661762
ethyl 2-[3-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]acetate
CID 133101760
ethyl 2-[4-(chloromethyl)-6-(difluoromethyl)-3-iodo-2-pyridinyl]acetate
CID 133100264
ethyl 2-[6-(difluoromethyl)-4-iodo-2-methoxy-3-pyridinyl]acetate
CID 133101552
ethyl 2-[2-(difluoromethyl)-3-iodo-6-methyl-4-pyridinyl]acetate
CID 133101161
ethyl 2-[2,4-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134676450
ethyl 2-[4-(aminomethyl)-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 133100722
ethyl 2-[6-(difluoromethyl)-4-fluoro-2-methyl-3-pyridinyl]acetate
CID 133104991
ethyl 2-[2,4-diamino-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134684334
ethyl 2-[5-(difluoromethyl)-2-fluoro-6-iodo-3-pyridinyl]acetate
CID 133105380
ethyl 2-[3-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134674966

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(difluoromethyl)-6-iodo-4-pyridinyl]acetate?
The IUPAC name of ethyl 2-[2-(difluoromethyl)-6-iodo-4-pyridinyl]acetate (CID 134673422) is ethyl 2-[2-(difluoromethyl)-6-iodo-4-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[2-(difluoromethyl)-6-iodo-4-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[2-(difluoromethyl)-6-iodo-4-pyridinyl]acetate is CCOC(=O)Cc1cc(I)nc(C(F)F)c1.
What is the InChIKey of ethyl 2-[2-(difluoromethyl)-6-iodo-4-pyridinyl]acetate?
The InChIKey is ZPWSKINCLPIIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2INO2/c1-2-16-9(15)5-6-3-7(10(11)12)14-8(13)4-6/h3-4,10H,2,5H2,1H3.
What are the key properties of ethyl 2-[2-(difluoromethyl)-6-iodo-4-pyridinyl]acetate?
ethyl 2-[2-(difluoromethyl)-6-iodo-4-pyridinyl]acetate has a molecular weight of 341.10 g/mol, XLogP of 2.73, 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)-6-iodo-4-pyridinyl]acetate is sourced from PubChem (CID 134673422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).