2,4-dimethyl-6-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid

C11H12F3NO3 — CID 55175921

IUPAC2,4-dimethyl-6-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid
SMILESCc1cc(=O)n(CCC(F)(F)F)c(C)c1C(=O)O
InChIInChI=1S/C11H12F3NO3/c1-6-5-8(16)15(4-3-11(12,13)14)7(2)9(6)10(17)18/h5H,3-4H2,1-2H3,(H,17,18)
InChIKeyUYAUPGQUPXTWNS-UHFFFAOYSA-N
MW263.21 g/mol
LogP2.12
Rot. Bonds3

About 2,4-dimethyl-6-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid

2,4-dimethyl-6-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid (PubChem CID 55175921) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is 2,4-dimethyl-6-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2,4-dimethyl-6-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid
PubChem CID55175921
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Name2,4-dimethyl-6-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid
SMILESCc1cc(=O)n(CCC(F)(F)F)c(C)c1C(=O)O
InChIInChI=1S/C11H12F3NO3/c1-6-5-8(16)15(4-3-11(12,13)14)7(2)9(6)10(17)18/h5H,3-4H2,1-2H3,(H,17,18)
InChIKeyUYAUPGQUPXTWNS-UHFFFAOYSA-N
XLogP2.12
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid?
The IUPAC name of 2,4-dimethyl-6-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid (CID 55175921) is 2,4-dimethyl-6-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 2,4-dimethyl-6-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid?
The canonical SMILES for 2,4-dimethyl-6-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid is Cc1cc(=O)n(CCC(F)(F)F)c(C)c1C(=O)O.
What is the InChIKey of 2,4-dimethyl-6-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid?
The InChIKey is UYAUPGQUPXTWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c1-6-5-8(16)15(4-3-11(12,13)14)7(2)9(6)10(17)18/h5H,3-4H2,1-2H3,(H,17,18).
What are the key properties of 2,4-dimethyl-6-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid?
2,4-dimethyl-6-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid has a molecular weight of 263.21 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-oxo-1-(3,3,3-trifluoropropyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 55175921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).