4-(difluoromethyl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid

C8H4F5NO3 — CID 118835017

IUPAC4-(difluoromethyl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(F)F)c(C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C8H4F5NO3/c9-5(10)2-1-3(7(16)17)14-6(15)4(2)8(11,12)13/h1,5H,(H,14,15)(H,16,17)
InChIKeyTYRIEXFWJLNXFX-UHFFFAOYSA-N
MW257.11 g/mol
LogP2.03
Rot. Bonds2

About 4-(difluoromethyl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid

4-(difluoromethyl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid (PubChem CID 118835017) has the molecular formula C8H4F5NO3 and a molecular weight of 257.11 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
PubChem CID118835017
Molecular FormulaC8H4F5NO3
Molecular Weight257.11 g/mol
Exact Mass257.01
IUPAC Name4-(difluoromethyl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(C(F)F)c(C(F)(F)F)c(=O)[nH]1
InChIInChI=1S/C8H4F5NO3/c9-5(10)2-1-3(7(16)17)14-6(15)4(2)8(11,12)13/h1,5H,(H,14,15)(H,16,17)
InChIKeyTYRIEXFWJLNXFX-UHFFFAOYSA-N
XLogP2.03
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.11
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid (CID 118835017) is 4-(difluoromethyl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid is O=C(O)c1cc(C(F)F)c(C(F)(F)F)c(=O)[nH]1.
What is the InChIKey of 4-(difluoromethyl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid?
The InChIKey is TYRIEXFWJLNXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F5NO3/c9-5(10)2-1-3(7(16)17)14-6(15)4(2)8(11,12)13/h1,5H,(H,14,15)(H,16,17).
What are the key properties of 4-(difluoromethyl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid?
4-(difluoromethyl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid has a molecular weight of 257.11 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-oxo-5-(trifluoromethyl)-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 118835017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).