ethyl 2-[5-(difluoromethyl)-4-methyl-6-oxo-1H-pyridin-3-yl]acetate

C11H13F2NO3 — CID 133103019

IUPACethyl 2-[5-(difluoromethyl)-4-methyl-6-oxo-1H-pyridin-3-yl]acetate
SMILESCCOC(=O)Cc1c[nH]c(=O)c(C(F)F)c1C
InChIInChI=1S/C11H13F2NO3/c1-3-17-8(15)4-7-5-14-11(16)9(6(7)2)10(12)13/h5,10H,3-4H2,1-2H3,(H,14,16)
InChIKeyFZJIANIIZIRPBK-UHFFFAOYSA-N
MW245.22 g/mol
LogP1.73
Rot. Bonds4

About ethyl 2-[5-(difluoromethyl)-4-methyl-6-oxo-1H-pyridin-3-yl]acetate

ethyl 2-[5-(difluoromethyl)-4-methyl-6-oxo-1H-pyridin-3-yl]acetate (PubChem CID 133103019) has the molecular formula C11H13F2NO3 and a molecular weight of 245.22 g/mol. Its IUPAC name is ethyl 2-[5-(difluoromethyl)-4-methyl-6-oxo-1H-pyridin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(difluoromethyl)-4-methyl-6-oxo-1H-pyridin-3-yl]acetate
PubChem CID133103019
Molecular FormulaC11H13F2NO3
Molecular Weight245.22 g/mol
Exact Mass245.09
IUPAC Nameethyl 2-[5-(difluoromethyl)-4-methyl-6-oxo-1H-pyridin-3-yl]acetate
SMILESCCOC(=O)Cc1c[nH]c(=O)c(C(F)F)c1C
InChIInChI=1S/C11H13F2NO3/c1-3-17-8(15)4-7-5-14-11(16)9(6(7)2)10(12)13/h5,10H,3-4H2,1-2H3,(H,14,16)
InChIKeyFZJIANIIZIRPBK-UHFFFAOYSA-N
XLogP1.73
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[5-(difluoromethyl)-3-methyl-2-oxo-1H-pyridin-4-yl]acetate
CID 133103382
ethyl 2-[3-(difluoromethyl)-6-methyl-2-oxo-1H-pyridin-4-yl]acetate
CID 133103021
ethyl 2-[5-(chloromethyl)-3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate
CID 133101823
ethyl 2-[5-amino-3-(difluoromethyl)-4-oxo-1H-pyridin-2-yl]acetate
CID 133093553
3-(difluoromethyl)-5-hydroxy-4-methyl-1H-pyridin-2-one
CID 130100101
ethyl 2-[6-chloro-5-(difluoromethyl)-4-methyl-3-pyridinyl]acetate
CID 134672130
methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetate
CID 133102943
ethyl 2-(4-oxo-2-sulfanylidene-1H-pyrimidin-5-yl)acetate
CID 3659581
ethyl 5-amino-4-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylate
CID 133093393
ethyl 2-[2-(aminomethyl)-3-(difluoromethyl)-6-oxo-1H-pyridin-4-yl]acetate
CID 133102959
ethyl 2-[4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
CID 133093259
ethyl 2-[4-(difluoromethyl)-5-methyl-6-oxo-1H-pyridin-2-yl]acetate
CID 133103249

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(difluoromethyl)-4-methyl-6-oxo-1H-pyridin-3-yl]acetate?
The IUPAC name of ethyl 2-[5-(difluoromethyl)-4-methyl-6-oxo-1H-pyridin-3-yl]acetate (CID 133103019) is ethyl 2-[5-(difluoromethyl)-4-methyl-6-oxo-1H-pyridin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[5-(difluoromethyl)-4-methyl-6-oxo-1H-pyridin-3-yl]acetate?
The canonical SMILES for ethyl 2-[5-(difluoromethyl)-4-methyl-6-oxo-1H-pyridin-3-yl]acetate is CCOC(=O)Cc1c[nH]c(=O)c(C(F)F)c1C.
What is the InChIKey of ethyl 2-[5-(difluoromethyl)-4-methyl-6-oxo-1H-pyridin-3-yl]acetate?
The InChIKey is FZJIANIIZIRPBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO3/c1-3-17-8(15)4-7-5-14-11(16)9(6(7)2)10(12)13/h5,10H,3-4H2,1-2H3,(H,14,16).
What are the key properties of ethyl 2-[5-(difluoromethyl)-4-methyl-6-oxo-1H-pyridin-3-yl]acetate?
ethyl 2-[5-(difluoromethyl)-4-methyl-6-oxo-1H-pyridin-3-yl]acetate has a molecular weight of 245.22 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-(difluoromethyl)-4-methyl-6-oxo-1H-pyridin-3-yl]acetate is sourced from PubChem (CID 133103019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).