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

C11H14F2N2O3 — CID 134683817

IUPACethyl 2-[5-amino-2-(difluoromethyl)-4-methoxy-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1c(C(F)F)ncc(N)c1OC
InChIInChI=1S/C11H14F2N2O3/c1-3-18-8(16)4-6-9(11(12)13)15-5-7(14)10(6)17-2/h5,11H,3-4,14H2,1-2H3
InChIKeyFXNDCUXAXCLTTD-UHFFFAOYSA-N
MW260.24 g/mol
LogP1.72
Rot. Bonds5

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

ethyl 2-[5-amino-2-(difluoromethyl)-4-methoxy-3-pyridinyl]acetate (PubChem CID 134683817) has the molecular formula C11H14F2N2O3 and a molecular weight of 260.24 g/mol. Its IUPAC name is ethyl 2-[5-amino-2-(difluoromethyl)-4-methoxy-3-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-amino-2-(difluoromethyl)-4-methoxy-3-pyridinyl]acetate
PubChem CID134683817
Molecular FormulaC11H14F2N2O3
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC Nameethyl 2-[5-amino-2-(difluoromethyl)-4-methoxy-3-pyridinyl]acetate
SMILESCCOC(=O)Cc1c(C(F)F)ncc(N)c1OC
InChIInChI=1S/C11H14F2N2O3/c1-3-18-8(16)4-6-9(11(12)13)15-5-7(14)10(6)17-2/h5,11H,3-4,14H2,1-2H3
InChIKeyFXNDCUXAXCLTTD-UHFFFAOYSA-N
XLogP1.72
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-[2-(difluoromethyl)-4-methoxy-5-methyl-3-pyridinyl]acetate
CID 133099799
ethyl 2-[4-amino-6-(difluoromethyl)-5-methoxy-3-pyridinyl]acetate
CID 134683801
ethyl 2-[5-amino-3-bromo-2-(difluoromethyl)-4-pyridinyl]acetate
CID 134669258
ethyl 2-[5-bromo-6-(difluoromethyl)-4-methoxy-3-pyridinyl]acetate
CID 134684413
ethyl 2-[5-(difluoromethyl)-2-fluoro-3-methoxy-4-pyridinyl]acetate
CID 133105547
ethyl 2-[2,5-diamino-3-(difluoromethyl)-4-pyridinyl]acetate
CID 134673268
ethyl 2-[3-bromo-2-(difluoromethyl)-5-methyl-4-pyridinyl]acetate
CID 134675934
ethyl 2-[4-amino-2-(difluoromethyl)-5-(trifluoromethyl)-3-pyridinyl]acetate
CID 134670665
ethyl 2-[4-chloro-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134674429
ethyl 2-[3-cyano-2-(difluoromethyl)-5-methoxy-4-pyridinyl]acetate
CID 134686324
ethyl 2-[5-(bromomethyl)-6-(difluoromethyl)-4-fluoro-3-pyridinyl]acetate
CID 133104427
ethyl 2-[4-(chloromethyl)-2-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 133104227

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-amino-2-(difluoromethyl)-4-methoxy-3-pyridinyl]acetate?
The IUPAC name of ethyl 2-[5-amino-2-(difluoromethyl)-4-methoxy-3-pyridinyl]acetate (CID 134683817) is ethyl 2-[5-amino-2-(difluoromethyl)-4-methoxy-3-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[5-amino-2-(difluoromethyl)-4-methoxy-3-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[5-amino-2-(difluoromethyl)-4-methoxy-3-pyridinyl]acetate is CCOC(=O)Cc1c(C(F)F)ncc(N)c1OC.
What is the InChIKey of ethyl 2-[5-amino-2-(difluoromethyl)-4-methoxy-3-pyridinyl]acetate?
The InChIKey is FXNDCUXAXCLTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3/c1-3-18-8(16)4-6-9(11(12)13)15-5-7(14)10(6)17-2/h5,11H,3-4,14H2,1-2H3.
What are the key properties of ethyl 2-[5-amino-2-(difluoromethyl)-4-methoxy-3-pyridinyl]acetate?
ethyl 2-[5-amino-2-(difluoromethyl)-4-methoxy-3-pyridinyl]acetate has a molecular weight of 260.24 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-amino-2-(difluoromethyl)-4-methoxy-3-pyridinyl]acetate is sourced from PubChem (CID 134683817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).