2-[6-methyl-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid

C9H8F3NO3 — CID 142458848

IUPAC2-[6-methyl-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid
SMILESCc1ccc(C(F)(F)F)c(=O)n1CC(=O)O
InChIInChI=1S/C9H8F3NO3/c1-5-2-3-6(9(10,11)12)8(16)13(5)4-7(14)15/h2-3H,4H2,1H3,(H,14,15)
InChIKeyCGIGPHDGWSNKLP-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.26
Rot. Bonds2

About 2-[6-methyl-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid

2-[6-methyl-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid (PubChem CID 142458848) has the molecular formula C9H8F3NO3 and a molecular weight of 235.16 g/mol. Its IUPAC name is 2-[6-methyl-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[6-methyl-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid
PubChem CID142458848
Molecular FormulaC9H8F3NO3
Molecular Weight235.16 g/mol
Exact Mass235.05
IUPAC Name2-[6-methyl-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid
SMILESCc1ccc(C(F)(F)F)c(=O)n1CC(=O)O
InChIInChI=1S/C9H8F3NO3/c1-5-2-3-6(9(10,11)12)8(16)13(5)4-7(14)15/h2-3H,4H2,1H3,(H,14,15)
InChIKeyCGIGPHDGWSNKLP-UHFFFAOYSA-N
XLogP1.26
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-Oxo-3-(trifluoromethyl)-1,2-dihydropyridin-1-yl]acetic acid
CID 17535105
2-(3-Methyl-2-oxo-1,2-dihydropyridin-1-yl)acetic acid
CID 39103283
1,5-Dimethyl-6-oxopyridine-2-carboxylic acid
CID 151346110
2-[2-Oxo-6-(trifluoromethyl)pyridin-1-yl]acetic acid
CID 81319986
6-Oxo-1-(2,2,2-trifluoroethyl)-1,6-dihydropyridine-2-carboxylic acid
CID 86277098
1-Methyl-6-oxo-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 125497669
6-Oxo-1-prop-2-enyl-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 125497862
2-[5-Bromo-2-oxo-3-(trifluoromethyl)pyridin-1-yl]acetic acid
CID 129899567
2-[5-Methyl-2-oxo-3-(trifluoromethyl)pyridin-1-yl]acetic acid
CID 135363600
3-(difluoromethyl)-1-methyl-2H-pyridine-6-carboxylic acid
CID 139564282
4,4,4-Trifluoro-2-(2-oxopyridin-1-yl)butanoic acid
CID 139580013
2-[5-Fluoro-2-oxo-3-(trifluoromethyl)pyridin-1-yl]acetic acid
CID 142458850

Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid?
The IUPAC name of 2-[6-methyl-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid (CID 142458848) is 2-[6-methyl-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[6-methyl-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[6-methyl-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid is Cc1ccc(C(F)(F)F)c(=O)n1CC(=O)O.
What is the InChIKey of 2-[6-methyl-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid?
The InChIKey is CGIGPHDGWSNKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3/c1-5-2-3-6(9(10,11)12)8(16)13(5)4-7(14)15/h2-3H,4H2,1H3,(H,14,15).
What are the key properties of 2-[6-methyl-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid?
2-[6-methyl-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid has a molecular weight of 235.16 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid is sourced from PubChem (CID 142458848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).