3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine-4-carboxylic acid

C8H3F6NO2 — CID 133103937

IUPAC3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)nc(F)c1C(F)F
InChIInChI=1S/C8H3F6NO2/c9-5(10)4-2(7(16)17)1-3(8(12,13)14)15-6(4)11/h1,5H,(H,16,17)
InChIKeyFJEXHPCSIJEWQB-UHFFFAOYSA-N
MW259.11 g/mol
LogP2.88
Rot. Bonds2

About 3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine-4-carboxylic acid

3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine-4-carboxylic acid (PubChem CID 133103937) has the molecular formula C8H3F6NO2 and a molecular weight of 259.11 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine-4-carboxylic acid
PubChem CID133103937
Molecular FormulaC8H3F6NO2
Molecular Weight259.11 g/mol
Exact Mass259.01
IUPAC Name3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(C(F)(F)F)nc(F)c1C(F)F
InChIInChI=1S/C8H3F6NO2/c9-5(10)4-2(7(16)17)1-3(8(12,13)14)15-6(4)11/h1,5H,(H,16,17)
InChIKeyFJEXHPCSIJEWQB-UHFFFAOYSA-N
XLogP2.88
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.11
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine-4-carboxylic acid?
The IUPAC name of 3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine-4-carboxylic acid (CID 133103937) is 3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine-4-carboxylic acid is O=C(O)c1cc(C(F)(F)F)nc(F)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine-4-carboxylic acid?
The InChIKey is FJEXHPCSIJEWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F6NO2/c9-5(10)4-2(7(16)17)1-3(8(12,13)14)15-6(4)11/h1,5H,(H,16,17).
What are the key properties of 3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine-4-carboxylic acid?
3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine-4-carboxylic acid has a molecular weight of 259.11 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 133103937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).