6-(2,2,2-trifluoroacetyl)pyridine-2-carboxylic acid

C8H4F3NO3 — CID 131581629

IUPAC6-(2,2,2-trifluoroacetyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)C(F)(F)F)n1
InChIInChI=1S/C8H4F3NO3/c9-8(10,11)6(13)4-2-1-3-5(12-4)7(14)15/h1-3H,(H,14,15)
InChIKeyHROJFAGZRZNVKF-UHFFFAOYSA-N
MW219.12 g/mol
LogP1.52
Rot. Bonds2

About 6-(2,2,2-trifluoroacetyl)pyridine-2-carboxylic acid

6-(2,2,2-trifluoroacetyl)pyridine-2-carboxylic acid (PubChem CID 131581629) has the molecular formula C8H4F3NO3 and a molecular weight of 219.12 g/mol. Its IUPAC name is 6-(2,2,2-trifluoroacetyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-(2,2,2-trifluoroacetyl)pyridine-2-carboxylic acid
PubChem CID131581629
Molecular FormulaC8H4F3NO3
Molecular Weight219.12 g/mol
Exact Mass219.01
IUPAC Name6-(2,2,2-trifluoroacetyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(C(=O)C(F)(F)F)n1
InChIInChI=1S/C8H4F3NO3/c9-8(10,11)6(13)4-2-1-3-5(12-4)7(14)15/h1-3H,(H,14,15)
InChIKeyHROJFAGZRZNVKF-UHFFFAOYSA-N
XLogP1.52
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.12
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 91986542
CID 91986542
6-[(2,2,2-trifluoroacetyl)amino]pyridine-2-carboxylic acid
CID 63644130
6-(trifluoromethoxymethyl)pyridine-2-carboxylic acid
CID 107876690
6-(tert-butylcarbamoyl)pyridine-2-carboxylic acid
CID 43558262
6-(dimethylamino)pyridine-2-carboxylic acid
CID 53408411
6-[(E)-(6-carboxy-2-pyridinyl)diazenyl]pyridine-2-carboxylic acid
CID 134844060
6-[(Z)-3-hydroxyprop-2-enoyl]pyridine-2-carboxylic acid
CID 177483783
6-(fluoromethyl)pyridine-2-carboxylic acid;iridium
CID 58621414
6-(N'-hydroxycarbamimidoyl)pyridine-2-carboxylic acid
CID 137133766
6-(5,5,5-trifluoropentylcarbamoyl)pyridine-2-carboxylic acid
CID 115521722
6-(2,2,2-trifluoroethoxymethyl)pyridine-2-carboxylic acid
CID 106903249
6-acetylpyridine-2-carboxylic acid;6-ethanethioylpyridine-2-carboxylic acid
CID 144731400

Frequently Asked Questions

What is the IUPAC name of 6-(2,2,2-trifluoroacetyl)pyridine-2-carboxylic acid?
The IUPAC name of 6-(2,2,2-trifluoroacetyl)pyridine-2-carboxylic acid (CID 131581629) is 6-(2,2,2-trifluoroacetyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 6-(2,2,2-trifluoroacetyl)pyridine-2-carboxylic acid?
The canonical SMILES for 6-(2,2,2-trifluoroacetyl)pyridine-2-carboxylic acid is O=C(O)c1cccc(C(=O)C(F)(F)F)n1.
What is the InChIKey of 6-(2,2,2-trifluoroacetyl)pyridine-2-carboxylic acid?
The InChIKey is HROJFAGZRZNVKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F3NO3/c9-8(10,11)6(13)4-2-1-3-5(12-4)7(14)15/h1-3H,(H,14,15).
What are the key properties of 6-(2,2,2-trifluoroacetyl)pyridine-2-carboxylic acid?
6-(2,2,2-trifluoroacetyl)pyridine-2-carboxylic acid has a molecular weight of 219.12 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2,2-trifluoroacetyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 131581629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).