ethyl 2-[4-bromo-6-(difluoromethyl)-3-pyridinyl]acetate

C10H10BrF2NO2 — CID 134672940

IUPACethyl 2-[4-bromo-6-(difluoromethyl)-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1cnc(C(F)F)cc1Br
InChIInChI=1S/C10H10BrF2NO2/c1-2-16-9(15)3-6-5-14-8(10(12)13)4-7(6)11/h4-5,10H,2-3H2,1H3
InChIKeyNJMGOZDRIJHKHI-UHFFFAOYSA-N
MW294.10 g/mol
LogP2.89
Rot. Bonds4

About ethyl 2-[4-bromo-6-(difluoromethyl)-3-pyridinyl]acetate

ethyl 2-[4-bromo-6-(difluoromethyl)-3-pyridinyl]acetate (PubChem CID 134672940) has the molecular formula C10H10BrF2NO2 and a molecular weight of 294.10 g/mol. Its IUPAC name is ethyl 2-[4-bromo-6-(difluoromethyl)-3-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-bromo-6-(difluoromethyl)-3-pyridinyl]acetate
PubChem CID134672940
Molecular FormulaC10H10BrF2NO2
Molecular Weight294.10 g/mol
Exact Mass292.99
IUPAC Nameethyl 2-[4-bromo-6-(difluoromethyl)-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1cnc(C(F)F)cc1Br
InChIInChI=1S/C10H10BrF2NO2/c1-2-16-9(15)3-6-5-14-8(10(12)13)4-7(6)11/h4-5,10H,2-3H2,1H3
InChIKeyNJMGOZDRIJHKHI-UHFFFAOYSA-N
XLogP2.89
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.10
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(4-bromo-6-fluoro-3-pyridinyl)acetate
CID 133098174
ethyl 2-(4,6-dibromo-3-pyridinyl)acetate
CID 133097252
ethyl 2-[4-bromo-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 133097919
ethyl 2-[2,4-dibromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134676450
ethyl 2-(4-bromo-6-nitro-3-pyridinyl)acetate
CID 133097965
ethyl 2-[4-bromo-5-chloro-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134674682
ethyl 2-[2-bromo-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134672936
ethyl 2-[5-bromo-6-(difluoromethyl)-4-methoxy-3-pyridinyl]acetate
CID 134684413
ethyl 2-[4,5-dichloro-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134676981
ethyl 2-[6-chloro-5-(difluoromethyl)-4-methyl-3-pyridinyl]acetate
CID 134672130
ethyl 2-[6-amino-5-bromo-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134658560
ethyl 2-[4-bromo-5-(difluoromethyl)-6-(trifluoromethyl)-3-pyridinyl]acetate
CID 134676322

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-bromo-6-(difluoromethyl)-3-pyridinyl]acetate?
The IUPAC name of ethyl 2-[4-bromo-6-(difluoromethyl)-3-pyridinyl]acetate (CID 134672940) is ethyl 2-[4-bromo-6-(difluoromethyl)-3-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[4-bromo-6-(difluoromethyl)-3-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[4-bromo-6-(difluoromethyl)-3-pyridinyl]acetate is CCOC(=O)Cc1cnc(C(F)F)cc1Br.
What is the InChIKey of ethyl 2-[4-bromo-6-(difluoromethyl)-3-pyridinyl]acetate?
The InChIKey is NJMGOZDRIJHKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF2NO2/c1-2-16-9(15)3-6-5-14-8(10(12)13)4-7(6)11/h4-5,10H,2-3H2,1H3.
What are the key properties of ethyl 2-[4-bromo-6-(difluoromethyl)-3-pyridinyl]acetate?
ethyl 2-[4-bromo-6-(difluoromethyl)-3-pyridinyl]acetate has a molecular weight of 294.10 g/mol, XLogP of 2.89, 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-6-(difluoromethyl)-3-pyridinyl]acetate is sourced from PubChem (CID 134672940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).