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

C10H10F3NO3 — CID 64566311

IUPAC6-methyl-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1CCC(F)(F)F
InChIInChI=1S/C10H10F3NO3/c1-6-2-3-7(9(16)17)8(15)14(6)5-4-10(11,12)13/h2-3H,4-5H2,1H3,(H,16,17)
InChIKeyAHUANZVYWUWBCK-UHFFFAOYSA-N
MW249.19 g/mol
LogP1.81
Rot. Bonds3

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

6-methyl-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid (PubChem CID 64566311) has the molecular formula C10H10F3NO3 and a molecular weight of 249.19 g/mol. Its IUPAC name is 6-methyl-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-methyl-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid
PubChem CID64566311
Molecular FormulaC10H10F3NO3
Molecular Weight249.19 g/mol
Exact Mass249.06
IUPAC Name6-methyl-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid
SMILESCc1ccc(C(=O)O)c(=O)n1CCC(F)(F)F
InChIInChI=1S/C10H10F3NO3/c1-6-2-3-7(9(16)17)8(15)14(6)5-4-10(11,12)13/h2-3H,4-5H2,1H3,(H,16,17)
InChIKeyAHUANZVYWUWBCK-UHFFFAOYSA-N
XLogP1.81
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.19
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-methyl-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid (CID 64566311) is 6-methyl-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-methyl-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-methyl-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid is Cc1ccc(C(=O)O)c(=O)n1CCC(F)(F)F.
What is the InChIKey of 6-methyl-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid?
The InChIKey is AHUANZVYWUWBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3/c1-6-2-3-7(9(16)17)8(15)14(6)5-4-10(11,12)13/h2-3H,4-5H2,1H3,(H,16,17).
What are the key properties of 6-methyl-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid?
6-methyl-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid has a molecular weight of 249.19 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 64566311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).