6-(trifluoromethyl)pyridine-2,4-dicarboxylic acid

C8H4F3NO4 — CID 130114973

IUPAC6-(trifluoromethyl)pyridine-2,4-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)nc(C(F)(F)F)c1
InChIInChI=1S/C8H4F3NO4/c9-8(10,11)5-2-3(6(13)14)1-4(12-5)7(15)16/h1-2H,(H,13,14)(H,15,16)
InChIKeyNFUZPTYUYMCJCW-UHFFFAOYSA-N
MW235.12 g/mol
LogP1.50
Rot. Bonds2

About 6-(trifluoromethyl)pyridine-2,4-dicarboxylic acid

6-(trifluoromethyl)pyridine-2,4-dicarboxylic acid (PubChem CID 130114973) has the molecular formula C8H4F3NO4 and a molecular weight of 235.12 g/mol. Its IUPAC name is 6-(trifluoromethyl)pyridine-2,4-dicarboxylic acid.

Molecular Properties

Compound Name6-(trifluoromethyl)pyridine-2,4-dicarboxylic acid
PubChem CID130114973
Molecular FormulaC8H4F3NO4
Molecular Weight235.12 g/mol
Exact Mass235.01
IUPAC Name6-(trifluoromethyl)pyridine-2,4-dicarboxylic acid
SMILESO=C(O)c1cc(C(=O)O)nc(C(F)(F)F)c1
InChIInChI=1S/C8H4F3NO4/c9-8(10,11)5-2-3(6(13)14)1-4(12-5)7(15)16/h1-2H,(H,13,14)(H,15,16)
InChIKeyNFUZPTYUYMCJCW-UHFFFAOYSA-N
XLogP1.50
TPSA87.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.12
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)pyridine-2,4-dicarboxylic acid?
The IUPAC name of 6-(trifluoromethyl)pyridine-2,4-dicarboxylic acid (CID 130114973) is 6-(trifluoromethyl)pyridine-2,4-dicarboxylic acid.
What is the SMILES notation for 6-(trifluoromethyl)pyridine-2,4-dicarboxylic acid?
The canonical SMILES for 6-(trifluoromethyl)pyridine-2,4-dicarboxylic acid is O=C(O)c1cc(C(=O)O)nc(C(F)(F)F)c1.
What is the InChIKey of 6-(trifluoromethyl)pyridine-2,4-dicarboxylic acid?
The InChIKey is NFUZPTYUYMCJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3NO4/c9-8(10,11)5-2-3(6(13)14)1-4(12-5)7(15)16/h1-2H,(H,13,14)(H,15,16).
What are the key properties of 6-(trifluoromethyl)pyridine-2,4-dicarboxylic acid?
6-(trifluoromethyl)pyridine-2,4-dicarboxylic acid has a molecular weight of 235.12 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)pyridine-2,4-dicarboxylic acid is sourced from PubChem (CID 130114973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).