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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Related Compounds

2-(tert-butylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid
CID 165493421
2-(diethylamino)-6-(trifluoromethyl)pyridine-4-carboxylic acid
CID 165493427
2-chloro-6-(trifluoromethyl)pyridine;2-chloro-6-(trifluoromethyl)pyridine-4-carboxylic acid
CID 158174130
2-(methoxymethyl)-6-(trifluoromethyl)pyrimidine-4-carboxylic acid
CID 83824405
6-[6-carboxy-4-(trifluoromethyl)-2-pyridinyl]-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 102113105
7-chloro-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271527
3,5-bis(trifluoromethyl)benzoic acid;ethane
CID 143967931
6-amino-2-(trifluoromethyl)pyrimidine-4-carboxylic acid
CID 56956170
6-phenylpyridine-2,4-dicarboxylic acid
CID 10633973
2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carboxylic acid;methyl 2-cyclopropyl-6-(trifluoromethyl)pyridine-4-carboxylate
CID 162153894
2-methyl-4,6-bis(trifluoromethyl)pyridine-3-carboxylic acid
CID 163198807
2,6-dichloropyridine-4-carboxylic acid;iron
CID 174504494

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).