ethyl 2-[5-amino-3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate

C10H12F2N2O3 — CID 133093553

IUPACethyl 2-[5-amino-3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate
SMILESCCOC(=O)Cc1[nH]cc(N)c(=O)c1C(F)F
InChIInChI=1S/C10H12F2N2O3/c1-2-17-7(15)3-6-8(10(11)12)9(16)5(13)4-14-6/h4,10H,2-3,13H2,1H3,(H,14,16)
InChIKeyNKEWMDOBDHYKCA-UHFFFAOYSA-N
MW246.21 g/mol
LogP1.00
Rot. Bonds4

About ethyl 2-[5-amino-3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate

ethyl 2-[5-amino-3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate (PubChem CID 133093553) has the molecular formula C10H12F2N2O3 and a molecular weight of 246.21 g/mol. Its IUPAC name is ethyl 2-[5-amino-3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-amino-3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate
PubChem CID133093553
Molecular FormulaC10H12F2N2O3
Molecular Weight246.21 g/mol
Exact Mass246.08
IUPAC Nameethyl 2-[5-amino-3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate
SMILESCCOC(=O)Cc1[nH]cc(N)c(=O)c1C(F)F
InChIInChI=1S/C10H12F2N2O3/c1-2-17-7(15)3-6-8(10(11)12)9(16)5(13)4-14-6/h4,10H,2-3,13H2,1H3,(H,14,16)
InChIKeyNKEWMDOBDHYKCA-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

Analyze ethyl 2-[5-amino-3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate with MolForge

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Related Compounds

ethyl 2-[5-(chloromethyl)-3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate
CID 133101823
methyl 2-[3-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-2-yl]acetate
CID 133106071
ethyl 2-[5-(difluoromethyl)-4-methyl-6-oxo-1H-pyridin-3-yl]acetate
CID 133103019
ethyl 2-[3-cyano-5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate
CID 134684068
methyl 2-[3-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridin-2-yl]acetate
CID 133103145
ethyl 5-amino-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate
CID 133093393
ethyl 2-[3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridin-4-yl]acetate
CID 133103021
ethyl 2-[4,6-diamino-5-(difluoromethyl)-3-pyridinyl]acetate
CID 134671707
ethyl 2-[2-(aminomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetate
CID 133102959
ethyl 2-[4,6-diamino-3-(difluoromethyl)-2-pyridinyl]acetate
CID 134676216
ethyl 2-[5-(difluoromethyl)-3-methyl-2-oxo-1H-pyridin-4-yl]acetate
CID 133103382
ethyl 2-[2,5-diamino-3-(difluoromethyl)-4-pyridinyl]acetate
CID 134673268

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-amino-3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate?
The IUPAC name of ethyl 2-[5-amino-3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate (CID 133093553) is ethyl 2-[5-amino-3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate.
What is the SMILES notation for ethyl 2-[5-amino-3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate?
The canonical SMILES for ethyl 2-[5-amino-3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate is CCOC(=O)Cc1[nH]cc(N)c(=O)c1C(F)F.
What is the InChIKey of ethyl 2-[5-amino-3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate?
The InChIKey is NKEWMDOBDHYKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O3/c1-2-17-7(15)3-6-8(10(11)12)9(16)5(13)4-14-6/h4,10H,2-3,13H2,1H3,(H,14,16).
What are the key properties of ethyl 2-[5-amino-3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate?
ethyl 2-[5-amino-3-(difluoromethyl)-4-oxo-1H-pyridin-2-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-[5-amino-3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate is sourced from PubChem (CID 133093553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).