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

C10H9BrF3NO2 — CID 134683899

IUPACethyl 2-[5-bromo-3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1ncc(Br)c(F)c1C(F)F
InChIInChI=1S/C10H9BrF3NO2/c1-2-17-7(16)3-6-8(10(13)14)9(12)5(11)4-15-6/h4,10H,2-3H2,1H3
InChIKeyNUNJDQAILMRRGK-UHFFFAOYSA-N
MW312.09 g/mol
LogP3.03
Rot. Bonds4

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

ethyl 2-[5-bromo-3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate (PubChem CID 134683899) has the molecular formula C10H9BrF3NO2 and a molecular weight of 312.09 g/mol. Its IUPAC name is ethyl 2-[5-bromo-3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-bromo-3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
PubChem CID134683899
Molecular FormulaC10H9BrF3NO2
Molecular Weight312.09 g/mol
Exact Mass310.98
IUPAC Nameethyl 2-[5-bromo-3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1ncc(Br)c(F)c1C(F)F
InChIInChI=1S/C10H9BrF3NO2/c1-2-17-7(16)3-6-8(10(13)14)9(12)5(11)4-15-6/h4,10H,2-3H2,1H3
InChIKeyNUNJDQAILMRRGK-UHFFFAOYSA-N
XLogP3.03
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.09
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[4-bromo-5-chloro-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134677641
ethyl 2-[5-bromo-4-(difluoromethyl)-2-fluoro-3-pyridinyl]acetate
CID 134683897
ethyl 2-[4-(bromomethyl)-3-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate
CID 133104108
ethyl 2-[3-amino-5-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134671268
ethyl 2-[5-bromo-4-(difluoromethyl)-2-iodo-3-pyridinyl]acetate
CID 134673724
ethyl 2-[3-(difluoromethyl)-5-fluoro-4-nitro-2-pyridinyl]acetate
CID 133104912
ethyl 2-[3-chloro-4-(difluoromethyl)-5-methyl-2-pyridinyl]acetate
CID 134667668
ethyl 2-[4-(difluoromethyl)-3-iodo-5-methyl-2-pyridinyl]acetate
CID 133101258
ethyl 2-[4-(aminomethyl)-3-(difluoromethyl)-5-methoxy-2-pyridinyl]acetate
CID 133085357
ethyl 2-[5-bromo-4-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]acetate
CID 134676313
ethyl 2-(5-amino-3-fluoro-2-pyridinyl)acetate
CID 133096784
ethyl 2-[6-(aminomethyl)-4-bromo-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134675354

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-bromo-3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[5-bromo-3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate (CID 134683899) is ethyl 2-[5-bromo-3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[5-bromo-3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[5-bromo-3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate is CCOC(=O)Cc1ncc(Br)c(F)c1C(F)F.
What is the InChIKey of ethyl 2-[5-bromo-3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate?
The InChIKey is NUNJDQAILMRRGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF3NO2/c1-2-17-7(16)3-6-8(10(13)14)9(12)5(11)4-15-6/h4,10H,2-3H2,1H3.
What are the key properties of ethyl 2-[5-bromo-3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate?
ethyl 2-[5-bromo-3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate has a molecular weight of 312.09 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-bromo-3-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate is sourced from PubChem (CID 134683899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).