1-(carboxymethyl)-2-oxo-5-(trifluoromethyl)pyridine-3-carboxylic acid

C9H6F3NO5 — CID 162571339

IUPAC1-(carboxymethyl)-2-oxo-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)Cn1cc(C(F)(F)F)cc(C(=O)O)c1=O
InChIInChI=1S/C9H6F3NO5/c10-9(11,12)4-1-5(8(17)18)7(16)13(2-4)3-6(14)15/h1-2H,3H2,(H,14,15)(H,17,18)
InChIKeyKLOSEAKBKNHHLA-UHFFFAOYSA-N
MW265.14 g/mol
LogP0.65
Rot. Bonds3

About 1-(carboxymethyl)-2-oxo-5-(trifluoromethyl)pyridine-3-carboxylic acid

1-(carboxymethyl)-2-oxo-5-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 162571339) has the molecular formula C9H6F3NO5 and a molecular weight of 265.14 g/mol. Its IUPAC name is 1-(carboxymethyl)-2-oxo-5-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name1-(carboxymethyl)-2-oxo-5-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID162571339
Molecular FormulaC9H6F3NO5
Molecular Weight265.14 g/mol
Exact Mass265.02
IUPAC Name1-(carboxymethyl)-2-oxo-5-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)Cn1cc(C(F)(F)F)cc(C(=O)O)c1=O
InChIInChI=1S/C9H6F3NO5/c10-9(11,12)4-1-5(8(17)18)7(16)13(2-4)3-6(14)15/h1-2H,3H2,(H,14,15)(H,17,18)
InChIKeyKLOSEAKBKNHHLA-UHFFFAOYSA-N
XLogP0.65
TPSA96.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.14
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(carboxymethyl)-2-oxo-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 1-(carboxymethyl)-2-oxo-5-(trifluoromethyl)pyridine-3-carboxylic acid (CID 162571339) is 1-(carboxymethyl)-2-oxo-5-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 1-(carboxymethyl)-2-oxo-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 1-(carboxymethyl)-2-oxo-5-(trifluoromethyl)pyridine-3-carboxylic acid is O=C(O)Cn1cc(C(F)(F)F)cc(C(=O)O)c1=O.
What is the InChIKey of 1-(carboxymethyl)-2-oxo-5-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is KLOSEAKBKNHHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3NO5/c10-9(11,12)4-1-5(8(17)18)7(16)13(2-4)3-6(14)15/h1-2H,3H2,(H,14,15)(H,17,18).
What are the key properties of 1-(carboxymethyl)-2-oxo-5-(trifluoromethyl)pyridine-3-carboxylic acid?
1-(carboxymethyl)-2-oxo-5-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 265.14 g/mol, XLogP of 0.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(carboxymethyl)-2-oxo-5-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 162571339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).