ethyl 2-[6-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate

C10H12F2N2O3 — CID 133093525

IUPACethyl 2-[6-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
SMILESCCOC(=O)Cc1c(C(F)F)cc(N)[nH]c1=O
InChIInChI=1S/C10H12F2N2O3/c1-2-17-8(15)4-6-5(9(11)12)3-7(13)14-10(6)16/h3,9H,2,4H2,1H3,(H3,13,14,16)
InChIKeyYASBHDKTSFLIAV-UHFFFAOYSA-N
MW246.21 g/mol
LogP1.00
Rot. Bonds4

About ethyl 2-[6-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate

ethyl 2-[6-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate (PubChem CID 133093525) has the molecular formula C10H12F2N2O3 and a molecular weight of 246.21 g/mol. Its IUPAC name is ethyl 2-[6-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[6-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
PubChem CID133093525
Molecular FormulaC10H12F2N2O3
Molecular Weight246.21 g/mol
Exact Mass246.08
IUPAC Nameethyl 2-[6-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
SMILESCCOC(=O)Cc1c(C(F)F)cc(N)[nH]c1=O
InChIInChI=1S/C10H12F2N2O3/c1-2-17-8(15)4-6-5(9(11)12)3-7(13)14-10(6)16/h3,9H,2,4H2,1H3,(H3,13,14,16)
InChIKeyYASBHDKTSFLIAV-UHFFFAOYSA-N
XLogP1.00
TPSA85.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.21
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
CID 133093259
ethyl 2-[5-(difluoromethyl)-2-oxo-6-(trifluoromethyl)-1H-pyridin-3-yl]acetate
CID 133102186
ethyl 2-[4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridin-2-yl]acetate
CID 133103249
ethyl 2-[5-(difluoromethyl)-3-methyl-2-oxo-1H-pyridin-4-yl]acetate
CID 133103382
ethyl 2-[5-(chloromethyl)-3-(difluoromethyl)-6-oxo-1H-pyridin-2-yl]acetate
CID 133101822
ethyl 2-[4-(difluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134680673
ethyl 2-[6-amino-4-(difluoromethyl)-2-iodo-3-pyridinyl]acetate
CID 134684743
ethyl 2-[5-(difluoromethyl)-6-nitro-2-oxo-1H-pyridin-3-yl]acetate
CID 133103191
ethyl 2-[4-(difluoromethyl)-2-fluoro-6-methyl-3-pyridinyl]acetate
CID 133104810
ethyl 2-[4-(difluoromethyl)-2,6-difluoro-3-pyridinyl]acetate
CID 134669228
ethyl 2-[2,6-dibromo-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134683692
ethyl 2-[2-chloro-4-(difluoromethyl)-6-methyl-3-pyridinyl]acetate
CID 134674976

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[6-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate?
The IUPAC name of ethyl 2-[6-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate (CID 133093525) is ethyl 2-[6-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[6-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate?
The canonical SMILES for ethyl 2-[6-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate is CCOC(=O)Cc1c(C(F)F)cc(N)[nH]c1=O.
What is the InChIKey of ethyl 2-[6-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate?
The InChIKey is YASBHDKTSFLIAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3/c1-2-17-8(15)4-6-5(9(11)12)3-7(13)14-10(6)16/h3,9H,2,4H2,1H3,(H3,13,14,16).
What are the key properties of ethyl 2-[6-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate?
ethyl 2-[6-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate has a molecular weight of 246.21 g/mol, XLogP of 1.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[6-amino-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate is sourced from PubChem (CID 133093525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).