4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid

C13H8F3NO3 — CID 3730311

IUPAC4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
SMILESO=C(O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C13H8F3NO3/c14-13(15,16)9-3-6-11(17-7-9)20-10-4-1-8(2-5-10)12(18)19/h1-7H,(H,18,19)
InChIKeyCCNGYKFALZVXHZ-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.59
Rot. Bonds3

About 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid

4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid (PubChem CID 3730311) has the molecular formula C13H8F3NO3 and a molecular weight of 283.21 g/mol. Its IUPAC name is 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid.

Molecular Properties

Compound Name4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
PubChem CID3730311
Molecular FormulaC13H8F3NO3
Molecular Weight283.21 g/mol
Exact Mass283.05
IUPAC Name4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid
SMILESO=C(O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1
InChIInChI=1S/C13H8F3NO3/c14-13(15,16)9-3-6-11(17-7-9)20-10-4-1-8(2-5-10)12(18)19/h1-7H,(H,18,19)
InChIKeyCCNGYKFALZVXHZ-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

pyrrolidin-1-yl-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]methanone
CID 78824899
(4-acetylphenyl) 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoate
CID 27873697
N-hydroxy-6-[4-(trifluoromethyl)phenoxy]pyridine-3-carboxamide
CID 135313676
2-(4-phenylphenoxy)-5-(trifluoromethyl)pyridine
CID 894657
N-(2-methylpropyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24537188
N-(2-methoxyethyl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 24531729
(3S)-1-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]pyrrolidine-3-carboxylic acid
CID 124610315
methyl 2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenoxy]acetate
CID 139703755
methyl 3-[[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoyl]amino]propanoate
CID 27006966
N-(5-methyl-1,3,4-thiadiazol-2-yl)-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 17499127
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzenesulfonamide
CID 99771190
N-pyrrolidin-3-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzamide
CID 119453360

Frequently Asked Questions

What is the IUPAC name of 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid?
The IUPAC name of 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid (CID 3730311) is 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid.
What is the SMILES notation for 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid?
The canonical SMILES for 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid is O=C(O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1.
What is the InChIKey of 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid?
The InChIKey is CCNGYKFALZVXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO3/c14-13(15,16)9-3-6-11(17-7-9)20-10-4-1-8(2-5-10)12(18)19/h1-7H,(H,18,19).
What are the key properties of 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid?
4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic 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 4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]benzoic acid is sourced from PubChem (CID 3730311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).