methyl 2-[3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate

C9H9F2NO3 — CID 133093223

IUPACmethyl 2-[3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate
SMILESCOC(=O)Cc1[nH]ccc(=O)c1C(F)F
InChIInChI=1S/C9H9F2NO3/c1-15-7(14)4-5-8(9(10)11)6(13)2-3-12-5/h2-3,9H,4H2,1H3,(H,12,13)
InChIKeyMRNNATDJMFDVRB-UHFFFAOYSA-N
MW217.17 g/mol
LogP1.03
Rot. Bonds3

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

methyl 2-[3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate (PubChem CID 133093223) has the molecular formula C9H9F2NO3 and a molecular weight of 217.17 g/mol. Its IUPAC name is methyl 2-[3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate
PubChem CID133093223
Molecular FormulaC9H9F2NO3
Molecular Weight217.17 g/mol
Exact Mass217.06
IUPAC Namemethyl 2-[3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate
SMILESCOC(=O)Cc1[nH]ccc(=O)c1C(F)F
InChIInChI=1S/C9H9F2NO3/c1-15-7(14)4-5-8(9(10)11)6(13)2-3-12-5/h2-3,9H,4H2,1H3,(H,12,13)
InChIKeyMRNNATDJMFDVRB-UHFFFAOYSA-N
XLogP1.03
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.17
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetate
CID 133093220
methyl 2-[3-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-2-yl]acetate
CID 133106071
methyl 2-[3-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridin-2-yl]acetate
CID 133103145
methyl 2-[5-(difluoromethyl)-4-nitro-6-oxo-1H-pyridin-2-yl]acetate
CID 133102659
methyl 2-[5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
CID 134673994
methyl 2-[2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridin-3-yl]acetate
CID 133103204
methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetate
CID 133102943
methyl 2-[6-cyano-5-(difluoromethyl)-4-oxo-1H-pyridin-3-yl]acetate
CID 134675730
methyl 2-[2-bromo-3-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetate
CID 134671753
methyl 2-[5-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate
CID 133093225
methyl 3-(difluoromethyl)-2-oxo-1H-pyridine-4-carboxylate
CID 130097202
methyl 2-[5-(difluoromethyl)-4-oxo-3-(trifluoromethyl)-1H-pyridin-2-yl]acetate
CID 133102426

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate?
The IUPAC name of methyl 2-[3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate (CID 133093223) is methyl 2-[3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate.
What is the SMILES notation for methyl 2-[3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate?
The canonical SMILES for methyl 2-[3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate is COC(=O)Cc1[nH]ccc(=O)c1C(F)F.
What is the InChIKey of methyl 2-[3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate?
The InChIKey is MRNNATDJMFDVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO3/c1-15-7(14)4-5-8(9(10)11)6(13)2-3-12-5/h2-3,9H,4H2,1H3,(H,12,13).
What are the key properties of methyl 2-[3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate?
methyl 2-[3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate has a molecular weight of 217.17 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate is sourced from PubChem (CID 133093223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).