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

C11H12BrF2NO2 — CID 134675939

IUPACethyl 2-[4-bromo-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1c(C)ncc(C(F)F)c1Br
InChIInChI=1S/C11H12BrF2NO2/c1-3-17-9(16)4-7-6(2)15-5-8(10(7)12)11(13)14/h5,11H,3-4H2,1-2H3
InChIKeyRDGFMDVGOIOBIV-UHFFFAOYSA-N
MW308.12 g/mol
LogP3.20
Rot. Bonds4

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

ethyl 2-[4-bromo-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate (PubChem CID 134675939) has the molecular formula C11H12BrF2NO2 and a molecular weight of 308.12 g/mol. Its IUPAC name is ethyl 2-[4-bromo-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-bromo-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate
PubChem CID134675939
Molecular FormulaC11H12BrF2NO2
Molecular Weight308.12 g/mol
Exact Mass307.00
IUPAC Nameethyl 2-[4-bromo-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1c(C)ncc(C(F)F)c1Br
InChIInChI=1S/C11H12BrF2NO2/c1-3-17-9(16)4-7-6(2)15-5-8(10(7)12)11(13)14/h5,11H,3-4H2,1-2H3
InChIKeyRDGFMDVGOIOBIV-UHFFFAOYSA-N
XLogP3.20
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.12
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[4-bromo-3-(bromomethyl)-5-(difluoromethyl)-2-pyridinyl]acetate
CID 134685366
ethyl 2-[3-bromo-2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]acetate
CID 134662548
ethyl 2-[5-(difluoromethyl)-2-methyl-3-(trifluoromethyl)-4-pyridinyl]acetate
CID 171029308
ethyl 2-[2-bromo-4-cyano-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134675175
ethyl 2-[5-amino-3-bromo-2-(difluoromethyl)-4-pyridinyl]acetate
CID 134669258
ethyl 2-[3-bromo-2-(difluoromethyl)-5-methyl-4-pyridinyl]acetate
CID 134675934
ethyl 2-[2-bromo-5-(difluoromethyl)-4-(trifluoromethyl)-3-pyridinyl]acetate
CID 134684478
ethyl 2-[4-(difluoromethyl)-5-methoxy-2-methyl-3-pyridinyl]acetate
CID 133100321
ethyl 2-[2,6-dibromo-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134683692
ethyl 2-[5-(difluoromethyl)-2-fluoro-3-hydroxy-4-pyridinyl]acetate
CID 133105936
ethyl 2-[2-(bromomethyl)-5-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate
CID 133104418
ethyl 2-[5-bromo-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetate
CID 134683897

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-bromo-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate?
The IUPAC name of ethyl 2-[4-bromo-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate (CID 134675939) is ethyl 2-[4-bromo-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[4-bromo-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[4-bromo-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate is CCOC(=O)Cc1c(C)ncc(C(F)F)c1Br.
What is the InChIKey of ethyl 2-[4-bromo-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate?
The InChIKey is RDGFMDVGOIOBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF2NO2/c1-3-17-9(16)4-7-6(2)15-5-8(10(7)12)11(13)14/h5,11H,3-4H2,1-2H3.
What are the key properties of ethyl 2-[4-bromo-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate?
ethyl 2-[4-bromo-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate has a molecular weight of 308.12 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-bromo-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate is sourced from PubChem (CID 134675939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).