2-oxo-6-propan-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid

C10H10F3NO3 — CID 123968446

IUPAC2-oxo-6-propan-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid
SMILESCC(C)c1cc(C(F)(F)F)c(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C10H10F3NO3/c1-4(2)6-3-5(10(11,12)13)7(9(16)17)8(15)14-6/h3-4H,1-2H3,(H,14,15)(H,16,17)
InChIKeyVIMUMOZPOBUCML-UHFFFAOYSA-N
MW249.19 g/mol
LogP2.22
Rot. Bonds2

About 2-oxo-6-propan-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid

2-oxo-6-propan-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid (PubChem CID 123968446) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is 2-oxo-6-propan-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-6-propan-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid
PubChem CID123968446
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Name2-oxo-6-propan-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid
SMILESCC(C)c1cc(C(F)(F)F)c(C(=O)O)c(=O)[nH]1
InChIInChI=1S/C10H10F3NO3/c1-4(2)6-3-5(10(11,12)13)7(9(16)17)8(15)14-6/h3-4H,1-2H3,(H,14,15)(H,16,17)
InChIKeyVIMUMOZPOBUCML-UHFFFAOYSA-N
XLogP2.22
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-6-propan-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid?
The IUPAC name of 2-oxo-6-propan-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid (CID 123968446) is 2-oxo-6-propan-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 2-oxo-6-propan-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 2-oxo-6-propan-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid is CC(C)c1cc(C(F)(F)F)c(C(=O)O)c(=O)[nH]1.
What is the InChIKey of 2-oxo-6-propan-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid?
The InChIKey is VIMUMOZPOBUCML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c1-4(2)6-3-5(10(11,12)13)7(9(16)17)8(15)14-6/h3-4H,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 2-oxo-6-propan-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid?
2-oxo-6-propan-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid has a molecular weight of 249.19 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-6-propan-2-yl-4-(trifluoromethyl)-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 123968446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).