6-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carboxylic acid

C8H2F7NO3 — CID 134680090

IUPAC6-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(F)c(OC(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C8H2F7NO3/c9-5-4(19-8(13,14)15)3(7(10,11)12)2(1-16-5)6(17)18/h1H,(H,17,18)
InChIKeyOUMPGPPLPOVNAE-UHFFFAOYSA-N
MW293.09 g/mol
LogP2.84
Rot. Bonds2

About 6-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carboxylic acid

6-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carboxylic acid (PubChem CID 134680090) has the molecular formula C8H2F7NO3 and a molecular weight of 293.09 g/mol. Its IUPAC name is 6-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carboxylic acid
PubChem CID134680090
Molecular FormulaC8H2F7NO3
Molecular Weight293.09 g/mol
Exact Mass292.99
IUPAC Name6-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1cnc(F)c(OC(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C8H2F7NO3/c9-5-4(19-8(13,14)15)3(7(10,11)12)2(1-16-5)6(17)18/h1H,(H,17,18)
InChIKeyOUMPGPPLPOVNAE-UHFFFAOYSA-N
XLogP2.84
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.09
LogP ≤ 52.84
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

4-methoxy-6-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 134680069
6-(chloromethyl)-5-fluoro-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118832738
6-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134668164
6-(difluoromethyl)-4-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118803856
4-(aminomethyl)-6-iodo-5-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134666863
2-[4-(difluoromethyl)-6-fluoro-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118800590
methyl 6-methoxy-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 134663841
5-(chloromethyl)-3-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134671813
5-(chloromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 134682439
6-iodo-4-nitro-5-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134679605
6-(aminomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonyl chloride
CID 134682245
5-(chloromethyl)-2-fluoro-4-(trifluoromethoxy)-3-(trifluoromethyl)pyridine
CID 134658888

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carboxylic acid (CID 134680090) is 6-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carboxylic acid is O=C(O)c1cnc(F)c(OC(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 6-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carboxylic acid?
The InChIKey is OUMPGPPLPOVNAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2F7NO3/c9-5-4(19-8(13,14)15)3(7(10,11)12)2(1-16-5)6(17)18/h1H,(H,17,18).
What are the key properties of 6-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carboxylic acid?
6-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carboxylic acid has a molecular weight of 293.09 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-(trifluoromethoxy)-4-(trifluoromethyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 134680090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).