2-[4-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid

C9H8F3NO5 — CID 134665312

IUPAC2-[4-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid
SMILESCOc1c(CC(=O)O)c[nH]c(=O)c1OC(F)(F)F
InChIInChI=1S/C9H8F3NO5/c1-17-6-4(2-5(14)15)3-13-8(16)7(6)18-9(10,11)12/h3H,2H2,1H3,(H,13,16)(H,14,15)
InChIKeyVOZBLICNUONAGY-UHFFFAOYSA-N
MW267.16 g/mol
LogP0.91
Rot. Bonds4

About 2-[4-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid

2-[4-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid (PubChem CID 134665312) has the molecular formula C9H8F3NO5 and a molecular weight of 267.16 g/mol. Its IUPAC name is 2-[4-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid
PubChem CID134665312
Molecular FormulaC9H8F3NO5
Molecular Weight267.16 g/mol
Exact Mass267.04
IUPAC Name2-[4-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid
SMILESCOc1c(CC(=O)O)c[nH]c(=O)c1OC(F)(F)F
InChIInChI=1S/C9H8F3NO5/c1-17-6-4(2-5(14)15)3-13-8(16)7(6)18-9(10,11)12/h3H,2H2,1H3,(H,13,16)(H,14,15)
InChIKeyVOZBLICNUONAGY-UHFFFAOYSA-N
XLogP0.91
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-oxo-3-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridin-4-yl]acetic acid
CID 134663224
methyl 2-[5-(fluoromethyl)-2-oxo-4-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134663170
5-(bromomethyl)-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carboxylic acid
CID 134666729
3-methoxy-2-oxo-5-(2,2,2-trifluoroethyl)-1H-pyridine-4-carbonyl chloride
CID 123666012
2-[3-methoxy-2-(trifluoromethoxy)phenyl]acetic acid
CID 170997113
methyl 6-oxo-5-(trifluoromethoxy)-4-(trifluoromethyl)-1H-pyridine-3-carboxylate
CID 134659856
2-[3-(aminomethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridin-4-yl]acetic acid
CID 134681343
ethyl 5-methyl-2-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carboxylate
CID 134665731
2-[6-(bromomethyl)-5-methoxy-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134682332
5-amino-4-(aminomethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 133086208
methyl 5-(chloromethyl)-6-oxo-4-(trifluoromethoxy)-1H-pyridine-3-carboxylate
CID 134677251
4-(bromomethyl)-5-methyl-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 130111918

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid?
The IUPAC name of 2-[4-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid (CID 134665312) is 2-[4-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid?
The canonical SMILES for 2-[4-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid is COc1c(CC(=O)O)c[nH]c(=O)c1OC(F)(F)F.
What is the InChIKey of 2-[4-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid?
The InChIKey is VOZBLICNUONAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO5/c1-17-6-4(2-5(14)15)3-13-8(16)7(6)18-9(10,11)12/h3H,2H2,1H3,(H,13,16)(H,14,15).
What are the key properties of 2-[4-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid?
2-[4-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid has a molecular weight of 267.16 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetic acid is sourced from PubChem (CID 134665312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).