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

C9H8ClF2NO3 — CID 134673994

IUPACmethyl 2-[5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
SMILESCOC(=O)Cc1c(C(F)F)c(Cl)c[nH]c1=O
InChIInChI=1S/C9H8ClF2NO3/c1-16-6(14)2-4-7(8(11)12)5(10)3-13-9(4)15/h3,8H,2H2,1H3,(H,13,15)
InChIKeyGWUNTJKGTSKNQW-UHFFFAOYSA-N
MW251.62 g/mol
LogP1.68
Rot. Bonds3

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

methyl 2-[5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate (PubChem CID 134673994) has the molecular formula C9H8ClF2NO3 and a molecular weight of 251.62 g/mol. Its IUPAC name is methyl 2-[5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
PubChem CID134673994
Molecular FormulaC9H8ClF2NO3
Molecular Weight251.62 g/mol
Exact Mass251.02
IUPAC Namemethyl 2-[5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
SMILESCOC(=O)Cc1c(C(F)F)c(Cl)c[nH]c1=O
InChIInChI=1S/C9H8ClF2NO3/c1-16-6(14)2-4-7(8(11)12)5(10)3-13-9(4)15/h3,8H,2H2,1H3,(H,13,15)
InChIKeyGWUNTJKGTSKNQW-UHFFFAOYSA-N
XLogP1.68
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.62
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetate
CID 133102943
5-chloro-4-(difluoromethyl)-3-(hydroxymethyl)-1H-pyridin-2-one
CID 130072604
methyl 2-[5-(difluoromethyl)-3-iodo-2-oxo-1H-pyridin-4-yl]acetate
CID 133103603
methyl 2-[5-chloro-2-(chloromethyl)-4-(difluoromethyl)-3-pyridinyl]acetate
CID 134675139
methyl 2-[5-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
CID 133093235
methyl 2-[3-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetate
CID 133093220
methyl 2-[6-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
CID 133093219
methyl 2-[3-(difluoromethyl)-5-fluoro-4-oxo-1H-pyridin-2-yl]acetate
CID 133106071
methyl 2-(5-chloro-2-oxo-1H-pyridin-4-yl)acetate
CID 130656120
methyl 2-[3-(difluoromethyl)-5-methoxy-4-oxo-1H-pyridin-2-yl]acetate
CID 133103145
5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 130072677
5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carbonyl chloride
CID 130072824

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate?
The IUPAC name of methyl 2-[5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate (CID 134673994) is methyl 2-[5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate.
What is the SMILES notation for methyl 2-[5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate?
The canonical SMILES for methyl 2-[5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate is COC(=O)Cc1c(C(F)F)c(Cl)c[nH]c1=O.
What is the InChIKey of methyl 2-[5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate?
The InChIKey is GWUNTJKGTSKNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF2NO3/c1-16-6(14)2-4-7(8(11)12)5(10)3-13-9(4)15/h3,8H,2H2,1H3,(H,13,15).
What are the key properties of methyl 2-[5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate?
methyl 2-[5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate has a molecular weight of 251.62 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate is sourced from PubChem (CID 134673994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).