4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanoic acid

C12H14F3NO3 — CID 139580061

IUPAC4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanoic acid
SMILESCC(C)CC(C(=O)O)n1ccc(C(F)(F)F)cc1=O
InChIInChI=1S/C12H14F3NO3/c1-7(2)5-9(11(18)19)16-4-3-8(6-10(16)17)12(13,14)15/h3-4,6-7,9H,5H2,1-2H3,(H,18,19)
InChIKeyZPJPHYOZYHODGO-UHFFFAOYSA-N
MW277.24 g/mol
LogP2.54
Rot. Bonds4

About 4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanoic acid

4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanoic acid (PubChem CID 139580061) has the molecular formula C12H14F3NO3 and a molecular weight of 277.24 g/mol. Its IUPAC name is 4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanoic acid.

Molecular Properties

Compound Name4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanoic acid
PubChem CID139580061
Molecular FormulaC12H14F3NO3
Molecular Weight277.24 g/mol
Exact Mass277.09
IUPAC Name4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanoic acid
SMILESCC(C)CC(C(=O)O)n1ccc(C(F)(F)F)cc1=O
InChIInChI=1S/C12H14F3NO3/c1-7(2)5-9(11(18)19)16-4-3-8(6-10(16)17)12(13,14)15/h3-4,6-7,9H,5H2,1-2H3,(H,18,19)
InChIKeyZPJPHYOZYHODGO-UHFFFAOYSA-N
XLogP2.54
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanoic acid?
The IUPAC name of 4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanoic acid (CID 139580061) is 4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanoic acid.
What is the SMILES notation for 4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanoic acid?
The canonical SMILES for 4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanoic acid is CC(C)CC(C(=O)O)n1ccc(C(F)(F)F)cc1=O.
What is the InChIKey of 4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanoic acid?
The InChIKey is ZPJPHYOZYHODGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO3/c1-7(2)5-9(11(18)19)16-4-3-8(6-10(16)17)12(13,14)15/h3-4,6-7,9H,5H2,1-2H3,(H,18,19).
What are the key properties of 4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanoic acid?
4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanoic acid has a molecular weight of 277.24 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-oxo-4-(trifluoromethyl)-1-pyridinyl]pentanoic acid is sourced from PubChem (CID 139580061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).