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

C10H11F2NO4 — CID 133103145

IUPACmethyl 2-[3-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridin-2-yl]acetate
SMILESCOC(=O)Cc1[nH]cc(OC)c(=O)c1C(F)F
InChIInChI=1S/C10H11F2NO4/c1-16-6-4-13-5(3-7(14)17-2)8(9(6)15)10(11)12/h4,10H,3H2,1-2H3,(H,13,15)
InChIKeyDOSCPRIAHSEUCH-UHFFFAOYSA-N
MW247.20 g/mol
LogP1.04
Rot. Bonds4

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

methyl 2-[3-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridin-2-yl]acetate (PubChem CID 133103145) has the molecular formula C10H11F2NO4 and a molecular weight of 247.20 g/mol. Its IUPAC name is methyl 2-[3-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridin-2-yl]acetate
PubChem CID133103145
Molecular FormulaC10H11F2NO4
Molecular Weight247.20 g/mol
Exact Mass247.07
IUPAC Namemethyl 2-[3-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridin-2-yl]acetate
SMILESCOC(=O)Cc1[nH]cc(OC)c(=O)c1C(F)F
InChIInChI=1S/C10H11F2NO4/c1-16-6-4-13-5(3-7(14)17-2)8(9(6)15)10(11)12/h4,10H,3H2,1-2H3,(H,13,15)
InChIKeyDOSCPRIAHSEUCH-UHFFFAOYSA-N
XLogP1.04
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.20
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[3-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-2-yl]acetate
CID 133106071
methyl 2-[3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate
CID 133093223
ethyl 2-[5-amino-3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate
CID 133093553
methyl 2-[5-(difluoromethyl)-4-oxo-3-(trifluoromethyl)-1H-pyridin-2-yl]acetate
CID 133102426
ethyl 2-[5-(chloromethyl)-3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate
CID 133101823
methyl 2-[6-cyano-5-(difluoromethyl)-4-oxo-1H-pyridin-3-yl]acetate
CID 134675730
methyl 2-[5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
CID 134673994
3-(difluoromethyl)-5-methoxy-2-(trifluoromethoxy)-1H-pyridin-4-one
CID 134666680
methyl 2-[3-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetate
CID 133093220
methyl 2-[2-(difluoromethyl)-5-nitro-4-oxo-1H-pyridin-3-yl]acetate
CID 133103204
methyl 2-[3-(aminomethyl)-4-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134666451
methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetate
CID 133102943

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridin-2-yl]acetate?
The IUPAC name of methyl 2-[3-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridin-2-yl]acetate (CID 133103145) is methyl 2-[3-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridin-2-yl]acetate.
What is the SMILES notation for methyl 2-[3-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridin-2-yl]acetate?
The canonical SMILES for methyl 2-[3-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridin-2-yl]acetate is COC(=O)Cc1[nH]cc(OC)c(=O)c1C(F)F.
What is the InChIKey of methyl 2-[3-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridin-2-yl]acetate?
The InChIKey is DOSCPRIAHSEUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO4/c1-16-6-4-13-5(3-7(14)17-2)8(9(6)15)10(11)12/h4,10H,3H2,1-2H3,(H,13,15).
What are the key properties of methyl 2-[3-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridin-2-yl]acetate?
methyl 2-[3-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridin-2-yl]acetate has a molecular weight of 247.20 g/mol, XLogP of 1.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridin-2-yl]acetate is sourced from PubChem (CID 133103145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).