1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid

C8H6F3NO3 — CID 84724729

IUPAC1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCn1c(C(=O)O)c(C(F)(F)F)ccc1=O
InChIInChI=1S/C8H6F3NO3/c1-12-5(13)3-2-4(8(9,10)11)6(12)7(14)15/h2-3H,1H3,(H,14,15)
InChIKeyLFVHDWOQMYNJKL-UHFFFAOYSA-N
MW221.13 g/mol
LogP1.10
Rot. Bonds1

About 1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid

1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 84724729) has the molecular formula C8H6F3NO3 and a molecular weight of 221.13 g/mol. Its IUPAC name is 1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID84724729
Molecular FormulaC8H6F3NO3
Molecular Weight221.13 g/mol
Exact Mass221.03
IUPAC Name1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCn1c(C(=O)O)c(C(F)(F)F)ccc1=O
InChIInChI=1S/C8H6F3NO3/c1-12-5(13)3-2-4(8(9,10)11)6(12)7(14)15/h2-3H,1H3,(H,14,15)
InChIKeyLFVHDWOQMYNJKL-UHFFFAOYSA-N
XLogP1.10
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.13
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-Oxo-5-(trifluoromethyl)-1,2-dihydropyridin-1-yl)acetic acid
CID 702585
6-Oxo-1-(2,2,2-trifluoroethyl)-1,6-dihydropyridine-2-carboxylic acid
CID 86277098
1-(Difluoromethyl)-6-oxo-1,6-dihydropyridine-2-carboxylic acid
CID 118693982
2-[5-(Difluoromethyl)-2-oxo-1,2-dihydropyridin-1-yl]acetic acid
CID 122240432
1-Methyl-6-oxo-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 125497669
2-(Difluoromethyl)-1-methyl-6-oxopyridine-3-carboxylic acid
CID 175766050
2-Fluoro-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetic acid
CID 81296384
6-oxo-3-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
CID 84722345
5-Amino-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 84727216
5-Chloro-1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 84729312
(6-Methyl-2-oxo-4-trifluoromethyl-2H-pyridin-1-yl)-acetic acid
CID 102543981
1-Methyl-2-oxo-6-(trifluoromethyl)pyridine-4-carboxylic acid
CID 105476933

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid (CID 84724729) is 1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid is Cn1c(C(=O)O)c(C(F)(F)F)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is LFVHDWOQMYNJKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NO3/c1-12-5(13)3-2-4(8(9,10)11)6(12)7(14)15/h2-3H,1H3,(H,14,15).
What are the key properties of 1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid?
1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 221.13 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-3-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 84724729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).