6-methoxy-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid

C8H6F3NO5 — CID 134665696

IUPAC6-methoxy-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
SMILESCOc1[nH]c(=O)c(C(=O)O)cc1OC(F)(F)F
InChIInChI=1S/C8H6F3NO5/c1-16-6-4(17-8(9,10)11)2-3(7(14)15)5(13)12-6/h2H,1H3,(H,12,13)(H,14,15)
InChIKeyPAHWZTRKXUDPDS-UHFFFAOYSA-N
MW253.13 g/mol
LogP0.98
Rot. Bonds3

About 6-methoxy-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid

6-methoxy-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid (PubChem CID 134665696) has the molecular formula C8H6F3NO5 and a molecular weight of 253.13 g/mol. Its IUPAC name is 6-methoxy-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
PubChem CID134665696
Molecular FormulaC8H6F3NO5
Molecular Weight253.13 g/mol
Exact Mass253.02
IUPAC Name6-methoxy-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
SMILESCOc1[nH]c(=O)c(C(=O)O)cc1OC(F)(F)F
InChIInChI=1S/C8H6F3NO5/c1-16-6-4(17-8(9,10)11)2-3(7(14)15)5(13)12-6/h2H,1H3,(H,12,13)(H,14,15)
InChIKeyPAHWZTRKXUDPDS-UHFFFAOYSA-N
XLogP0.98
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-methoxy-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[2-methoxy-6-oxo-5-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134677693
methyl 6-(fluoromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylate
CID 134680790
methyl 6-oxo-2-(trifluoromethoxy)-5-(trifluoromethyl)-1H-pyridine-3-carboxylate
CID 134659863
6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 22649364
2-oxo-6-(trifluoromethyl)-1H-pyridine-3,5-dicarboxylic acid
CID 83401835
6-oxo-2-(trifluoromethoxy)-3-(trifluoromethyl)-1H-pyridine-4-carboxylic acid
CID 134680514
4-cyano-3-methyl-2,5-bis(trifluoromethoxy)benzoic acid
CID 158321792
5,6,7-trimethoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690296
4-amino-2-bromo-5-(trifluoromethoxy)benzoic acid
CID 118829327
8-methoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 22690286
5-methoxy-3-nitro-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 134665025
4-bromo-2-chloro-5-(trifluoromethoxy)benzoic acid
CID 86682805

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid?
The IUPAC name of 6-methoxy-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid (CID 134665696) is 6-methoxy-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methoxy-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 6-methoxy-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid is COc1[nH]c(=O)c(C(=O)O)cc1OC(F)(F)F.
What is the InChIKey of 6-methoxy-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid?
The InChIKey is PAHWZTRKXUDPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO5/c1-16-6-4(17-8(9,10)11)2-3(7(14)15)5(13)12-6/h2H,1H3,(H,12,13)(H,14,15).
What are the key properties of 6-methoxy-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid?
6-methoxy-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid has a molecular weight of 253.13 g/mol, XLogP of 0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 134665696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).