2-[5-methyl-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid

C9H8F3NO3 — CID 135363600

IUPAC2-[5-methyl-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid
SMILESCc1cc(C(F)(F)F)c(=O)n(CC(=O)O)c1
InChIInChI=1S/C9H8F3NO3/c1-5-2-6(9(10,11)12)8(16)13(3-5)4-7(14)15/h2-3H,4H2,1H3,(H,14,15)
InChIKeySFFUKXJIRZENJQ-UHFFFAOYSA-N
MW235.16 g/mol
LogP1.26
Rot. Bonds2

About 2-[5-methyl-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid

2-[5-methyl-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid (PubChem CID 135363600) has the molecular formula C9H8F3NO3 and a molecular weight of 235.16 g/mol. Its IUPAC name is 2-[5-methyl-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-methyl-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid
PubChem CID135363600
Molecular FormulaC9H8F3NO3
Molecular Weight235.16 g/mol
Exact Mass235.05
IUPAC Name2-[5-methyl-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid
SMILESCc1cc(C(F)(F)F)c(=O)n(CC(=O)O)c1
InChIInChI=1S/C9H8F3NO3/c1-5-2-6(9(10,11)12)8(16)13(3-5)4-7(14)15/h2-3H,4H2,1H3,(H,14,15)
InChIKeySFFUKXJIRZENJQ-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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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid?
The IUPAC name of 2-[5-methyl-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid (CID 135363600) is 2-[5-methyl-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-methyl-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-methyl-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid is Cc1cc(C(F)(F)F)c(=O)n(CC(=O)O)c1.
What is the InChIKey of 2-[5-methyl-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid?
The InChIKey is SFFUKXJIRZENJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO3/c1-5-2-6(9(10,11)12)8(16)13(3-5)4-7(14)15/h2-3H,4H2,1H3,(H,14,15).
What are the key properties of 2-[5-methyl-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid?
2-[5-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-[5-methyl-2-oxo-3-(trifluoromethyl)-1-pyridinyl]acetic acid is sourced from PubChem (CID 135363600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).