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

C10H9F4NO4 — CID 134663170

IUPACmethyl 2-[5-(fluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
SMILESCOC(=O)Cc1c(OC(F)(F)F)c(CF)c[nH]c1=O
InChIInChI=1S/C10H9F4NO4/c1-18-7(16)2-6-8(19-10(12,13)14)5(3-11)4-15-9(6)17/h4H,2-3H2,1H3,(H,15,17)
InChIKeyYVUICZVLHFZBGX-UHFFFAOYSA-N
MW283.18 g/mol
LogP1.46
Rot. Bonds4

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

methyl 2-[5-(fluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate (PubChem CID 134663170) has the molecular formula C10H9F4NO4 and a molecular weight of 283.18 g/mol. Its IUPAC name is methyl 2-[5-(fluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(fluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
PubChem CID134663170
Molecular FormulaC10H9F4NO4
Molecular Weight283.18 g/mol
Exact Mass283.05
IUPAC Namemethyl 2-[5-(fluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
SMILESCOC(=O)Cc1c(OC(F)(F)F)c(CF)c[nH]c1=O
InChIInChI=1S/C10H9F4NO4/c1-18-7(16)2-6-8(19-10(12,13)14)5(3-11)4-15-9(6)17/h4H,2-3H2,1H3,(H,15,17)
InChIKeyYVUICZVLHFZBGX-UHFFFAOYSA-N
XLogP1.46
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.18
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid
CID 134665312
methyl 2-[5-iodo-4-oxo-6-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134659695
methyl 5-(chloromethyl)-6-oxo-4-(trifluoromethoxy)-1H-pyridine-3-carboxylate
CID 134677251
methyl 2-[6-(fluoromethyl)-4-oxo-3-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134662054
methyl 2-[5-(aminomethyl)-4-(difluoromethyl)-6-oxo-1H-pyridin-3-yl]acetate
CID 133102943
methyl 2-[6-methyl-2-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134681147
methyl 2-[5-chloro-4-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
CID 134673994
methyl 2-[2-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134677693
methyl 2-[4-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134680684
5-(fluoromethyl)-2-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-4-one
CID 134679059
methyl 2-[5-(difluoromethyl)-2-oxo-1H-pyridin-3-yl]acetate
CID 133093235
methyl 2-[3-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridin-2-yl]acetate
CID 134664528

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(fluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate?
The IUPAC name of methyl 2-[5-(fluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate (CID 134663170) is methyl 2-[5-(fluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate.
What is the SMILES notation for methyl 2-[5-(fluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate?
The canonical SMILES for methyl 2-[5-(fluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate is COC(=O)Cc1c(OC(F)(F)F)c(CF)c[nH]c1=O.
What is the InChIKey of methyl 2-[5-(fluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate?
The InChIKey is YVUICZVLHFZBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F4NO4/c1-18-7(16)2-6-8(19-10(12,13)14)5(3-11)4-15-9(6)17/h4H,2-3H2,1H3,(H,15,17).
What are the key properties of methyl 2-[5-(fluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate?
methyl 2-[5-(fluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate has a molecular weight of 283.18 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(fluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate is sourced from PubChem (CID 134663170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).