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

C8H3F6NO3 — CID 134681070

IUPAC3-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(F)nc(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C8H3F6NO3/c9-3-1-2(7(16)17)4(5(10)11)6(15-3)18-8(12,13)14/h1,5H,(H,16,17)
InChIKeyHCCDLNJUHPNFQT-UHFFFAOYSA-N
MW275.10 g/mol
LogP2.76
Rot. Bonds3

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

3-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine-4-carboxylic acid (PubChem CID 134681070) has the molecular formula C8H3F6NO3 and a molecular weight of 275.10 g/mol. Its IUPAC name is 3-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine-4-carboxylic acid
PubChem CID134681070
Molecular FormulaC8H3F6NO3
Molecular Weight275.10 g/mol
Exact Mass275.00
IUPAC Name3-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(F)nc(OC(F)(F)F)c1C(F)F
InChIInChI=1S/C8H3F6NO3/c9-3-1-2(7(16)17)4(5(10)11)6(15-3)18-8(12,13)14/h1,5H,(H,16,17)
InChIKeyHCCDLNJUHPNFQT-UHFFFAOYSA-N
XLogP2.76
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.10
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(difluoromethyl)-2-fluoro-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134662164
2-amino-3-(difluoromethyl)-6-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 119013647
2-chloro-3-(difluoromethyl)-6-fluoropyridine-4-carboxylic acid
CID 119004038
4-(aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118801555
methyl 3-(difluoromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 134679196
methyl 3-(difluoromethyl)-6-fluoro-2-methoxypyridine-4-carboxylate
CID 133105531
3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine-4-carboxylic acid
CID 133103937
methyl 6-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 134676098
2-[4-(chloromethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134682629
5-(difluoromethyl)-4-fluoro-6-(trifluoromethoxy)pyridine-2-carbaldehyde
CID 134677513
6-bromo-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylic acid
CID 133087730
6-(difluoromethyl)-2-iodo-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 134666314

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine-4-carboxylic acid?
The IUPAC name of 3-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine-4-carboxylic acid (CID 134681070) is 3-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine-4-carboxylic acid is O=C(O)c1cc(F)nc(OC(F)(F)F)c1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine-4-carboxylic acid?
The InChIKey is HCCDLNJUHPNFQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F6NO3/c9-3-1-2(7(16)17)4(5(10)11)6(15-3)18-8(12,13)14/h1,5H,(H,16,17).
What are the key properties of 3-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine-4-carboxylic acid?
3-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine-4-carboxylic acid has a molecular weight of 275.10 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-6-fluoro-2-(trifluoromethoxy)pyridine-4-carboxylic acid is sourced from PubChem (CID 134681070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).