2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid

C8H6F3NO5 — CID 118949230

IUPAC2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)c1ccc[nH]c1=O
InChIInChI=1S/C6H5NO3.C2HF3O2/c8-5-4(6(9)10)2-1-3-7-5;3-2(4,5)1(6)7/h1-3H,(H,7,8)(H,9,10);(H,6,7)
InChIKeyQBQNXPHLWZQDSR-UHFFFAOYSA-N
MW253.13 g/mol
LogP0.71
Rot. Bonds1

About 2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid

2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 118949230) has the molecular formula C8H6F3NO5 and a molecular weight of 253.13 g/mol. Its IUPAC name is 2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID118949230
Molecular FormulaC8H6F3NO5
Molecular Weight253.13 g/mol
Exact Mass253.02
IUPAC Name2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)c1ccc[nH]c1=O
InChIInChI=1S/C6H5NO3.C2HF3O2/c8-5-4(6(9)10)2-1-3-7-5;3-2(4,5)1(6)7/h1-3H,(H,7,8)(H,9,10);(H,6,7)
InChIKeyQBQNXPHLWZQDSR-UHFFFAOYSA-N
XLogP0.71
TPSA107.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid (CID 118949230) is 2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(O)c1ccc[nH]c1=O.
What is the InChIKey of 2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is QBQNXPHLWZQDSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3.C2HF3O2/c8-5-4(6(9)10)2-1-3-7-5;3-2(4,5)1(6)7/h1-3H,(H,7,8)(H,9,10);(H,6,7).
What are the key properties of 2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid?
2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 253.13 g/mol, XLogP of 0.71, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1H-pyridine-3-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118949230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).