6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid

C13H8F3NO3 — CID 4271775

IUPAC6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H8F3NO3/c14-13(15,16)8-3-1-4-9(7-8)20-11-6-2-5-10(17-11)12(18)19/h1-7H,(H,18,19)
InChIKeyLFRASJXUIQMIMC-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.59
Rot. Bonds3

About 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid

6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid (PubChem CID 4271775) has the molecular formula C13H8F3NO3 and a molecular weight of 283.21 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
PubChem CID4271775
Molecular FormulaC13H8F3NO3
Molecular Weight283.21 g/mol
Exact Mass283.05
IUPAC Name6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(Oc2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C13H8F3NO3/c14-13(15,16)8-3-1-4-9(7-8)20-11-6-2-5-10(17-11)12(18)19/h1-7H,(H,18,19)
InChIKeyLFRASJXUIQMIMC-UHFFFAOYSA-N
XLogP3.59
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[3-(trifluoromethyl)phenoxy]pyrazine-2-carboxylic acid
CID 15790812
N-propyl-6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
CID 18326225
4-methylsulfanyl-2,6-bis[3-(trifluoromethyl)phenoxy]pyridine
CID 21471060
4,6-bis[3-(trifluoromethyl)phenoxy]pyrimidine
CID 11516885
2-N'-[3-oxo-3-[6-[3-(trifluoromethyl)phenoxy]-2-pyridinyl]propyl]ethanedihydrazide
CID 54216258
4,6-bis[3-(trifluoromethyl)phenoxy]-1H-pyrimidin-2-one
CID 4035854
6-chloro-2-fluoro-3-[3-(trifluoromethyl)phenoxy]pyridine-4-carboxylic acid
CID 157036894
4-methylsulfanyl-N-propyl-6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxamide
CID 148921014
4-methyl-6-[3-(trifluoromethyl)phenoxy]pyrimidin-2-amine
CID 14724234
5-amino-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
CID 81446828
2-[[2,6-bis[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]-4,5-dichlorobenzoic acid
CID 88891462
3-[[2,6-bis[3-(trifluoromethyl)phenoxy]-3-pyridinyl]carbamoyl]pyridine-4-carboxylic acid
CID 88891445

Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid?
The IUPAC name of 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid (CID 4271775) is 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid is O=C(O)c1cccc(Oc2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid?
The InChIKey is LFRASJXUIQMIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO3/c14-13(15,16)8-3-1-4-9(7-8)20-11-6-2-5-10(17-11)12(18)19/h1-7H,(H,18,19).
What are the key properties of 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid?
6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid has a molecular weight of 283.21 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)phenoxy]pyridine-2-carboxylic acid is sourced from PubChem (CID 4271775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).