ethyl 2-[2-(difluoromethyl)-3-iodo-6-oxo-1H-pyridin-4-yl]acetate

C10H10F2INO3 — CID 133103526

IUPACethyl 2-[2-(difluoromethyl)-3-iodo-6-oxo-1H-pyridin-4-yl]acetate
SMILESCCOC(=O)Cc1cc(=O)[nH]c(C(F)F)c1I
InChIInChI=1S/C10H10F2INO3/c1-2-17-7(16)4-5-3-6(15)14-9(8(5)13)10(11)12/h3,10H,2,4H2,1H3,(H,14,15)
InChIKeyWAWWVJZCRMXHRV-UHFFFAOYSA-N
MW357.09 g/mol
LogP2.02
Rot. Bonds4

About ethyl 2-[2-(difluoromethyl)-3-iodo-6-oxo-1H-pyridin-4-yl]acetate

ethyl 2-[2-(difluoromethyl)-3-iodo-6-oxo-1H-pyridin-4-yl]acetate (PubChem CID 133103526) has the molecular formula C10H10F2INO3 and a molecular weight of 357.09 g/mol. Its IUPAC name is ethyl 2-[2-(difluoromethyl)-3-iodo-6-oxo-1H-pyridin-4-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(difluoromethyl)-3-iodo-6-oxo-1H-pyridin-4-yl]acetate
PubChem CID133103526
Molecular FormulaC10H10F2INO3
Molecular Weight357.09 g/mol
Exact Mass356.97
IUPAC Nameethyl 2-[2-(difluoromethyl)-3-iodo-6-oxo-1H-pyridin-4-yl]acetate
SMILESCCOC(=O)Cc1cc(=O)[nH]c(C(F)F)c1I
InChIInChI=1S/C10H10F2INO3/c1-2-17-7(16)4-5-3-6(15)14-9(8(5)13)10(11)12/h3,10H,2,4H2,1H3,(H,14,15)
InChIKeyWAWWVJZCRMXHRV-UHFFFAOYSA-N
XLogP2.02
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.09
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[2-(aminomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetate
CID 133102959
4-(aminomethyl)-6-(difluoromethyl)-5-iodo-1H-pyridin-2-one
CID 130082600
6-(difluoromethyl)-4-(hydroxymethyl)-5-iodo-1H-pyridin-2-one
CID 118803664
ethyl 2-[4-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate
CID 133093261
ethyl 2-[2-(difluoromethyl)-5-fluoro-6-oxo-1H-pyridin-3-yl]acetate
CID 133106232
ethyl 2-[2-(difluoromethyl)-3,6-diiodo-4-pyridinyl]acetate
CID 134661762
ethyl 2-[3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridin-4-yl]acetate
CID 133103021
ethyl 2-[2-(difluoromethyl)-3-iodo-6-methyl-4-pyridinyl]acetate
CID 133101161
ethyl 2-[6-(difluoromethyl)-5-methoxy-2-oxo-1H-pyridin-3-yl]acetate
CID 133103499
ethyl 4-amino-2-(difluoromethyl)-6-oxo-1H-pyridine-3-carboxylate
CID 133093404
ethyl 4-(difluoromethyl)-3-iodo-6-oxo-1H-pyridine-2-carboxylate
CID 133103721
ethyl 2-[3-methyl-6-oxo-2-(trifluoromethoxy)-1H-pyridin-4-yl]acetate
CID 134680788

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(difluoromethyl)-3-iodo-6-oxo-1H-pyridin-4-yl]acetate?
The IUPAC name of ethyl 2-[2-(difluoromethyl)-3-iodo-6-oxo-1H-pyridin-4-yl]acetate (CID 133103526) is ethyl 2-[2-(difluoromethyl)-3-iodo-6-oxo-1H-pyridin-4-yl]acetate.
What is the SMILES notation for ethyl 2-[2-(difluoromethyl)-3-iodo-6-oxo-1H-pyridin-4-yl]acetate?
The canonical SMILES for ethyl 2-[2-(difluoromethyl)-3-iodo-6-oxo-1H-pyridin-4-yl]acetate is CCOC(=O)Cc1cc(=O)[nH]c(C(F)F)c1I.
What is the InChIKey of ethyl 2-[2-(difluoromethyl)-3-iodo-6-oxo-1H-pyridin-4-yl]acetate?
The InChIKey is WAWWVJZCRMXHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2INO3/c1-2-17-7(16)4-5-3-6(15)14-9(8(5)13)10(11)12/h3,10H,2,4H2,1H3,(H,14,15).
What are the key properties of ethyl 2-[2-(difluoromethyl)-3-iodo-6-oxo-1H-pyridin-4-yl]acetate?
ethyl 2-[2-(difluoromethyl)-3-iodo-6-oxo-1H-pyridin-4-yl]acetate has a molecular weight of 357.09 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(difluoromethyl)-3-iodo-6-oxo-1H-pyridin-4-yl]acetate is sourced from PubChem (CID 133103526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).