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

C8H3F6NO2 — CID 133103752

IUPAC6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(C(F)F)nc(F)c1C(F)(F)F
InChIInChI=1S/C8H3F6NO2/c9-5(10)3-1-2(7(16)17)4(6(11)15-3)8(12,13)14/h1,5H,(H,16,17)
InChIKeyLCEZHXYUWBBBEF-UHFFFAOYSA-N
MW259.11 g/mol
LogP2.88
Rot. Bonds2

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

6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carboxylic acid (PubChem CID 133103752) has the molecular formula C8H3F6NO2 and a molecular weight of 259.11 g/mol. Its IUPAC name is 6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carboxylic acid
PubChem CID133103752
Molecular FormulaC8H3F6NO2
Molecular Weight259.11 g/mol
Exact Mass259.01
IUPAC Name6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(C(F)F)nc(F)c1C(F)(F)F
InChIInChI=1S/C8H3F6NO2/c9-5(10)3-1-2(7(16)17)4(6(11)15-3)8(12,13)14/h1,5H,(H,16,17)
InChIKeyLCEZHXYUWBBBEF-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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Related Compounds

6-(difluoromethyl)-2-fluoro-3-hydroxypyridine-4-carboxylic acid
CID 130079649
[6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)-4-pyridinyl]methanol
CID 133104348
6-(difluoromethyl)-2-fluoro-4-methyl-3-(trifluoromethyl)pyridine
CID 133105561
6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carbaldehyde
CID 133104326
2,3-dichloro-6-(difluoromethyl)pyridine-4-carboxylic acid
CID 119009190
6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134666314
3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine-4-carboxylic acid
CID 133103937
4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 118835601
2-(difluoromethyl)-5-fluoropyridine-4-carboxylic acid
CID 118809173
2-chloro-6-(difluoromethyl)-3-iodopyridine-4-carboxylic acid
CID 119024451
6-(difluoromethyl)-2-iodo-3-methylpyridine-4-carboxylic acid
CID 130086233
methyl 6-(difluoromethyl)-2-fluoro-3-(trifluoromethoxy)pyridine-4-carboxylate
CID 134676531

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carboxylic acid?
The IUPAC name of 6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carboxylic acid (CID 133103752) is 6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carboxylic acid.
What is the SMILES notation for 6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carboxylic acid?
The canonical SMILES for 6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carboxylic acid is O=C(O)c1cc(C(F)F)nc(F)c1C(F)(F)F.
What is the InChIKey of 6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carboxylic acid?
The InChIKey is LCEZHXYUWBBBEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F6NO2/c9-5(10)3-1-2(7(16)17)4(6(11)15-3)8(12,13)14/h1,5H,(H,16,17).
What are the key properties of 6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carboxylic acid?
6-(difluoromethyl)-2-fluoro-3-(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 6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)pyridine-4-carboxylic acid is sourced from PubChem (CID 133103752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).