4-(fluoromethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid

C8H5F4NO4 — CID 118851482

IUPAC4-(fluoromethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)c(OC(F)(F)F)c1CF
InChIInChI=1S/C8H5F4NO4/c9-1-3-4(7(15)16)2-13-6(14)5(3)17-8(10,11)12/h2H,1H2,(H,13,14)(H,15,16)
InChIKeyVHJNQQSXRDQLKQ-UHFFFAOYSA-N
MW255.12 g/mol
LogP1.44
Rot. Bonds3

About 4-(fluoromethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid

4-(fluoromethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid (PubChem CID 118851482) has the molecular formula C8H5F4NO4 and a molecular weight of 255.12 g/mol. Its IUPAC name is 4-(fluoromethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(fluoromethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
PubChem CID118851482
Molecular FormulaC8H5F4NO4
Molecular Weight255.12 g/mol
Exact Mass255.02
IUPAC Name4-(fluoromethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(=O)c(OC(F)(F)F)c1CF
InChIInChI=1S/C8H5F4NO4/c9-1-3-4(7(15)16)2-13-6(14)5(3)17-8(10,11)12/h2H,1H2,(H,13,14)(H,15,16)
InChIKeyVHJNQQSXRDQLKQ-UHFFFAOYSA-N
XLogP1.44
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid?
The IUPAC name of 4-(fluoromethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid (CID 118851482) is 4-(fluoromethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 4-(fluoromethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 4-(fluoromethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid is O=C(O)c1c[nH]c(=O)c(OC(F)(F)F)c1CF.
What is the InChIKey of 4-(fluoromethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid?
The InChIKey is VHJNQQSXRDQLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4NO4/c9-1-3-4(7(15)16)2-13-6(14)5(3)17-8(10,11)12/h2H,1H2,(H,13,14)(H,15,16).
What are the key properties of 4-(fluoromethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid?
4-(fluoromethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid has a molecular weight of 255.12 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-6-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 118851482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).