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

C10H11BrF2N2O2 — CID 134669258

IUPACethyl 2-[5-amino-3-bromo-2-(difluoromethyl)-4-pyridinyl]acetate
SMILESCCOC(=O)Cc1c(N)cnc(C(F)F)c1Br
InChIInChI=1S/C10H11BrF2N2O2/c1-2-17-7(16)3-5-6(14)4-15-9(8(5)11)10(12)13/h4,10H,2-3,14H2,1H3
InChIKeyXRWYRGFGFFDRMD-UHFFFAOYSA-N
MW309.11 g/mol
LogP2.47
Rot. Bonds4

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

ethyl 2-[5-amino-3-bromo-2-(difluoromethyl)-4-pyridinyl]acetate (PubChem CID 134669258) has the molecular formula C10H11BrF2N2O2 and a molecular weight of 309.11 g/mol. Its IUPAC name is ethyl 2-[5-amino-3-bromo-2-(difluoromethyl)-4-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-amino-3-bromo-2-(difluoromethyl)-4-pyridinyl]acetate
PubChem CID134669258
Molecular FormulaC10H11BrF2N2O2
Molecular Weight309.11 g/mol
Exact Mass308.00
IUPAC Nameethyl 2-[5-amino-3-bromo-2-(difluoromethyl)-4-pyridinyl]acetate
SMILESCCOC(=O)Cc1c(N)cnc(C(F)F)c1Br
InChIInChI=1S/C10H11BrF2N2O2/c1-2-17-7(16)3-5-6(14)4-15-9(8(5)11)10(12)13/h4,10H,2-3,14H2,1H3
InChIKeyXRWYRGFGFFDRMD-UHFFFAOYSA-N
XLogP2.47
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.11
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[3-bromo-2-(difluoromethyl)-5-methyl-4-pyridinyl]acetate
CID 134675934
ethyl 2-[3-bromo-5-cyano-2-(difluoromethyl)-4-pyridinyl]acetate
CID 171029566
ethyl 2-[5-amino-2-(difluoromethyl)-4-methoxy-3-pyridinyl]acetate
CID 134683817
ethyl 2-[2,5-diamino-3-(difluoromethyl)-4-pyridinyl]acetate
CID 134673268
ethyl 2-[5-bromo-6-(difluoromethyl)-4-methoxy-3-pyridinyl]acetate
CID 134684413
ethyl 2-[5-(bromomethyl)-4-chloro-2-(difluoromethyl)-3-pyridinyl]acetate
CID 134686280
ethyl 2-[4-bromo-5-(difluoromethyl)-2-methyl-3-pyridinyl]acetate
CID 134675939
ethyl 2-[4-bromo-5-chloro-6-(difluoromethyl)-3-pyridinyl]acetate
CID 134674682
ethyl 2-[5-bromo-2-(difluoromethyl)-3-(trifluoromethyl)-4-pyridinyl]acetate
CID 134685359
ethyl 2-[4-amino-2-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 134670665
ethyl 2-[3-(bromomethyl)-5-chloro-2-(difluoromethyl)-4-pyridinyl]acetate
CID 134686476
ethyl 2-[4-chloro-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134674429

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-amino-3-bromo-2-(difluoromethyl)-4-pyridinyl]acetate?
The IUPAC name of ethyl 2-[5-amino-3-bromo-2-(difluoromethyl)-4-pyridinyl]acetate (CID 134669258) is ethyl 2-[5-amino-3-bromo-2-(difluoromethyl)-4-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[5-amino-3-bromo-2-(difluoromethyl)-4-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[5-amino-3-bromo-2-(difluoromethyl)-4-pyridinyl]acetate is CCOC(=O)Cc1c(N)cnc(C(F)F)c1Br.
What is the InChIKey of ethyl 2-[5-amino-3-bromo-2-(difluoromethyl)-4-pyridinyl]acetate?
The InChIKey is XRWYRGFGFFDRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2N2O2/c1-2-17-7(16)3-5-6(14)4-15-9(8(5)11)10(12)13/h4,10H,2-3,14H2,1H3.
What are the key properties of ethyl 2-[5-amino-3-bromo-2-(difluoromethyl)-4-pyridinyl]acetate?
ethyl 2-[5-amino-3-bromo-2-(difluoromethyl)-4-pyridinyl]acetate has a molecular weight of 309.11 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-amino-3-bromo-2-(difluoromethyl)-4-pyridinyl]acetate is sourced from PubChem (CID 134669258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).