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

C8H5F4NO4 — CID 134677290

IUPAC5-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(OC(F)(F)F)c(CF)c1=O
InChIInChI=1S/C8H5F4NO4/c9-1-3-5(14)4(7(15)16)2-13-6(3)17-8(10,11)12/h2H,1H2,(H,13,14)(H,15,16)
InChIKeyKWYXNJYIPMRVPE-UHFFFAOYSA-N
MW255.12 g/mol
LogP1.44
Rot. Bonds3

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

5-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid (PubChem CID 134677290) has the molecular formula C8H5F4NO4 and a molecular weight of 255.12 g/mol. Its IUPAC name is 5-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
PubChem CID134677290
Molecular FormulaC8H5F4NO4
Molecular Weight255.12 g/mol
Exact Mass255.02
IUPAC Name5-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid
SMILESO=C(O)c1c[nH]c(OC(F)(F)F)c(CF)c1=O
InChIInChI=1S/C8H5F4NO4/c9-1-3-5(14)4(7(15)16)2-13-6(3)17-8(10,11)12/h2H,1H2,(H,13,14)(H,15,16)
InChIKeyKWYXNJYIPMRVPE-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 5-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid?
The IUPAC name of 5-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid (CID 134677290) is 5-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid?
The canonical SMILES for 5-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid is O=C(O)c1c[nH]c(OC(F)(F)F)c(CF)c1=O.
What is the InChIKey of 5-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid?
The InChIKey is KWYXNJYIPMRVPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5F4NO4/c9-1-3-5(14)4(7(15)16)2-13-6(3)17-8(10,11)12/h2H,1H2,(H,13,14)(H,15,16).
What are the key properties of 5-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid?
5-(fluoromethyl)-4-oxo-6-(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 5-(fluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridine-3-carboxylic acid is sourced from PubChem (CID 134677290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).