3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid

C8H4F5NO2 — CID 130098534

IUPAC3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(C(F)(F)F)cc1C(F)F
InChIInChI=1S/C8H4F5NO2/c9-6(10)4-1-3(8(11,12)13)2-14-5(4)7(15)16/h1-2,6H,(H,15,16)
InChIKeyFELOYZACZITIRS-UHFFFAOYSA-N
MW241.11 g/mol
LogP2.74
Rot. Bonds2

About 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid

3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 130098534) has the molecular formula C8H4F5NO2 and a molecular weight of 241.11 g/mol. Its IUPAC name is 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID130098534
Molecular FormulaC8H4F5NO2
Molecular Weight241.11 g/mol
Exact Mass241.02
IUPAC Name3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESO=C(O)c1ncc(C(F)(F)F)cc1C(F)F
InChIInChI=1S/C8H4F5NO2/c9-6(10)4-1-3(8(11,12)13)2-14-5(4)7(15)16/h1-2,6H,(H,15,16)
InChIKeyFELOYZACZITIRS-UHFFFAOYSA-N
XLogP2.74
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.11
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylate
CID 134664348
5-chloro-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130095648
5-bromo-3-(difluoromethyl)pyridine-2-carboxylic acid;ethane
CID 156803169
5-(chloromethyl)-3-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098409
3-methylsulfinyl-5-(trifluoromethyl)pyridine-2-carboxylic acid
CID 76963351
4-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 133084536
5-(difluoromethyl)-3,4-difluoropyridine-2-carboxylic acid
CID 130099870
3,4-diamino-5-(difluoromethyl)pyridine-2-carboxylic acid
CID 130098779
3-(difluoromethyl)-5-iodo-6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 133100358
2,5-bis(trifluoromethyl)pyridine-3-carboxylic acid
CID 119013467
5-(difluoromethyl)-3-hydroxy-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134677793
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2-oxoacetic acid
CID 139035182

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid (CID 130098534) is 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid is O=C(O)c1ncc(C(F)(F)F)cc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is FELOYZACZITIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F5NO2/c9-6(10)4-1-3(8(11,12)13)2-14-5(4)7(15)16/h1-2,6H,(H,15,16).
What are the key properties of 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid?
3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 241.11 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-5-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 130098534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).