ethyl 2-[3-amino-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate

C10H11F3N2O2 — CID 134683603

IUPACethyl 2-[3-amino-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1nc(C(F)F)c(F)cc1N
InChIInChI=1S/C10H11F3N2O2/c1-2-17-8(16)4-7-6(14)3-5(11)9(15-7)10(12)13/h3,10H,2,4,14H2,1H3
InChIKeyCTRASKMKJSSUJR-UHFFFAOYSA-N
MW248.20 g/mol
LogP1.85
Rot. Bonds4

About ethyl 2-[3-amino-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate

ethyl 2-[3-amino-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate (PubChem CID 134683603) has the molecular formula C10H11F3N2O2 and a molecular weight of 248.20 g/mol. Its IUPAC name is ethyl 2-[3-amino-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-amino-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate
PubChem CID134683603
Molecular FormulaC10H11F3N2O2
Molecular Weight248.20 g/mol
Exact Mass248.08
IUPAC Nameethyl 2-[3-amino-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate
SMILESCCOC(=O)Cc1nc(C(F)F)c(F)cc1N
InChIInChI=1S/C10H11F3N2O2/c1-2-17-8(16)4-7-6(14)3-5(11)9(15-7)10(12)13/h3,10H,2,4,14H2,1H3
InChIKeyCTRASKMKJSSUJR-UHFFFAOYSA-N
XLogP1.85
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.20
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[3-(aminomethyl)-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate
CID 133104334
ethyl 2-[3-chloro-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate
CID 171029636
ethyl 2-[6-(difluoromethyl)-2,5-difluoro-3-pyridinyl]acetate
CID 134661756
ethyl 2-[6-(difluoromethyl)-5-hydroxy-3-methyl-2-pyridinyl]acetate
CID 133102888
methyl 2-[3,5-diamino-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134671704
ethyl 2-[4,6-diamino-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134676216
ethyl 2-[2-cyano-6-(difluoromethyl)-5-fluoro-3-pyridinyl]acetate
CID 134686578
ethyl 2-[3-chloro-6-(difluoromethyl)-4-fluoro-2-pyridinyl]acetate
CID 134674966
ethyl 2-[4-amino-3-chloro-6-(difluoromethyl)-2-pyridinyl]acetate
CID 134683959
methyl 2-[3-amino-6-(difluoromethyl)-5-iodo-2-pyridinyl]acetate
CID 134683210
ethyl 2-[6-amino-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetate
CID 134670432
methyl 2-[3-amino-6-(difluoromethyl)-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 134677475

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-amino-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate?
The IUPAC name of ethyl 2-[3-amino-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate (CID 134683603) is ethyl 2-[3-amino-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate.
What is the SMILES notation for ethyl 2-[3-amino-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate?
The canonical SMILES for ethyl 2-[3-amino-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate is CCOC(=O)Cc1nc(C(F)F)c(F)cc1N.
What is the InChIKey of ethyl 2-[3-amino-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate?
The InChIKey is CTRASKMKJSSUJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O2/c1-2-17-8(16)4-7-6(14)3-5(11)9(15-7)10(12)13/h3,10H,2,4,14H2,1H3.
What are the key properties of ethyl 2-[3-amino-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate?
ethyl 2-[3-amino-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate has a molecular weight of 248.20 g/mol, XLogP of 1.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-amino-6-(difluoromethyl)-5-fluoro-2-pyridinyl]acetate is sourced from PubChem (CID 134683603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).