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

C9H8F3NO3 — CID 133106071

IUPACmethyl 2-[3-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-2-yl]acetate
SMILESCOC(=O)Cc1[nH]cc(F)c(=O)c1C(F)F
InChIInChI=1S/C9H8F3NO3/c1-16-6(14)2-5-7(9(11)12)8(15)4(10)3-13-5/h3,9H,2H2,1H3,(H,13,15)
InChIKeyRPVXTFFRMBWBKL-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.17
Rot. Bonds3

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

methyl 2-[3-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-2-yl]acetate (PubChem CID 133106071) has the molecular formula C9H8F3NO3 and a molecular weight of 235.16 g/mol. Its IUPAC name is methyl 2-[3-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-2-yl]acetate
PubChem CID133106071
Molecular FormulaC9H8F3NO3
Molecular Weight235.16 g/mol
Exact Mass235.05
IUPAC Namemethyl 2-[3-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-2-yl]acetate
SMILESCOC(=O)Cc1[nH]cc(F)c(=O)c1C(F)F
InChIInChI=1S/C9H8F3NO3/c1-16-6(14)2-5-7(9(11)12)8(15)4(10)3-13-5/h3,9H,2H2,1H3,(H,13,15)
InChIKeyRPVXTFFRMBWBKL-UHFFFAOYSA-N
XLogP1.17
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[3-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridin-2-yl]acetate
CID 133103145
methyl 2-[3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate
CID 133093223
2-(bromomethyl)-3-(difluoromethyl)-5-fluoro-1H-pyridin-4-one
CID 130079409
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
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-[5-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetate
CID 133102943
methyl 2-[5-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
CID 133093235

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-2-yl]acetate?
The IUPAC name of methyl 2-[3-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-2-yl]acetate (CID 133106071) is methyl 2-[3-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-2-yl]acetate.
What is the SMILES notation for methyl 2-[3-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-2-yl]acetate?
The canonical SMILES for methyl 2-[3-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-2-yl]acetate is COC(=O)Cc1[nH]cc(F)c(=O)c1C(F)F.
What is the InChIKey of methyl 2-[3-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-2-yl]acetate?
The InChIKey is RPVXTFFRMBWBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3/c1-16-6(14)2-5-7(9(11)12)8(15)4(10)3-13-5/h3,9H,2H2,1H3,(H,13,15).
What are the key properties of methyl 2-[3-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-2-yl]acetate?
methyl 2-[3-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-2-yl]acetate has a molecular weight of 235.16 g/mol, XLogP of 1.17, 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)-5-fluoro-4-oxo-1H-pyridin-2-yl]acetate is sourced from PubChem (CID 133106071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).