4-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carboxylic acid

C8H4F5NO4 — CID 118835212

IUPAC4-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1[nH]c(=O)cc(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H4F5NO4/c9-6(10)2-1-3(15)14-4(7(16)17)5(2)18-8(11,12)13/h1,6H,(H,14,15)(H,16,17)
InChIKeyZEONDQDOCNKDJG-UHFFFAOYSA-N
MW273.11 g/mol
LogP1.91
Rot. Bonds3

About 4-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carboxylic acid

4-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carboxylic acid (PubChem CID 118835212) has the molecular formula C8H4F5NO4 and a molecular weight of 273.11 g/mol. Its IUPAC name is 4-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carboxylic acid
PubChem CID118835212
Molecular FormulaC8H4F5NO4
Molecular Weight273.11 g/mol
Exact Mass273.01
IUPAC Name4-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carboxylic acid
SMILESO=C(O)c1[nH]c(=O)cc(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C8H4F5NO4/c9-6(10)2-1-3(15)14-4(7(16)17)5(2)18-8(11,12)13/h1,6H,(H,14,15)(H,16,17)
InChIKeyZEONDQDOCNKDJG-UHFFFAOYSA-N
XLogP1.91
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.11
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethyl)-3-methoxy-6-oxo-1H-pyridine-2-carbonyl chloride
CID 133103271
4-(difluoromethyl)-6-(hydroxymethyl)-3-(trifluoromethoxy)-1H-pyridin-2-one
CID 118811892
3-(difluoromethyl)-4-oxo-6-(trifluoromethoxy)-1H-pyridine-2-carboxylic acid
CID 134666248
6-(aminomethyl)-4-(difluoromethyl)-3-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134661368
4-chloro-3-(difluoromethyl)-6-oxo-1H-pyridine-2-carboxylic acid
CID 118821921
6-(bromomethyl)-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134665188
2-(chloromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-4-carboxylic acid
CID 118826861
3-chloro-4-(difluoromethyl)-6-oxo-1H-pyridine-2-carbonyl chloride
CID 130072823
6-(difluoromethyl)-3-methoxy-4-oxo-1H-pyridine-2-carboxylic acid
CID 130083473
ethyl 2-[4-(difluoromethyl)-6-oxo-2-(trifluoromethoxy)-1H-pyridin-3-yl]acetate
CID 134680673
5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134677793
2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118852040

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carboxylic acid (CID 118835212) is 4-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carboxylic acid is O=C(O)c1[nH]c(=O)cc(C(F)F)c1OC(F)(F)F.
What is the InChIKey of 4-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carboxylic acid?
The InChIKey is ZEONDQDOCNKDJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F5NO4/c9-6(10)2-1-3(15)14-4(7(16)17)5(2)18-8(11,12)13/h1,6H,(H,14,15)(H,16,17).
What are the key properties of 4-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carboxylic acid?
4-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carboxylic acid has a molecular weight of 273.11 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-6-oxo-3-(trifluoromethoxy)-1H-pyridine-2-carboxylic acid is sourced from PubChem (CID 118835212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).