2-hydroxy-6-[6-(trifluoromethyl)-2-pyridinyl]benzoic acid

C13H8F3NO3 — CID 67719228

IUPAC2-hydroxy-6-[6-(trifluoromethyl)-2-pyridinyl]benzoic acid
SMILESO=C(O)c1c(O)cccc1-c1cccc(C(F)(F)F)n1
InChIInChI=1S/C13H8F3NO3/c14-13(15,16)10-6-2-4-8(17-10)7-3-1-5-9(18)11(7)12(19)20/h1-6,18H,(H,19,20)
InChIKeyRNMRQGVDCUMWMZ-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.17
Rot. Bonds2

About 2-hydroxy-6-[6-(trifluoromethyl)-2-pyridinyl]benzoic acid

2-hydroxy-6-[6-(trifluoromethyl)-2-pyridinyl]benzoic acid (PubChem CID 67719228) has the molecular formula C13H8F3NO3 and a molecular weight of 283.21 g/mol. Its IUPAC name is 2-hydroxy-6-[6-(trifluoromethyl)-2-pyridinyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-6-[6-(trifluoromethyl)-2-pyridinyl]benzoic acid
PubChem CID67719228
Molecular FormulaC13H8F3NO3
Molecular Weight283.21 g/mol
Exact Mass283.05
IUPAC Name2-hydroxy-6-[6-(trifluoromethyl)-2-pyridinyl]benzoic acid
SMILESO=C(O)c1c(O)cccc1-c1cccc(C(F)(F)F)n1
InChIInChI=1S/C13H8F3NO3/c14-13(15,16)10-6-2-4-8(17-10)7-3-1-5-9(18)11(7)12(19)20/h1-6,18H,(H,19,20)
InChIKeyRNMRQGVDCUMWMZ-UHFFFAOYSA-N
XLogP3.17
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-6-[6-(trifluoromethyl)-2-pyridinyl]benzoic acid?
The IUPAC name of 2-hydroxy-6-[6-(trifluoromethyl)-2-pyridinyl]benzoic acid (CID 67719228) is 2-hydroxy-6-[6-(trifluoromethyl)-2-pyridinyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-6-[6-(trifluoromethyl)-2-pyridinyl]benzoic acid?
The canonical SMILES for 2-hydroxy-6-[6-(trifluoromethyl)-2-pyridinyl]benzoic acid is O=C(O)c1c(O)cccc1-c1cccc(C(F)(F)F)n1.
What is the InChIKey of 2-hydroxy-6-[6-(trifluoromethyl)-2-pyridinyl]benzoic acid?
The InChIKey is RNMRQGVDCUMWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO3/c14-13(15,16)10-6-2-4-8(17-10)7-3-1-5-9(18)11(7)12(19)20/h1-6,18H,(H,19,20).
What are the key properties of 2-hydroxy-6-[6-(trifluoromethyl)-2-pyridinyl]benzoic acid?
2-hydroxy-6-[6-(trifluoromethyl)-2-pyridinyl]benzoic acid has a molecular weight of 283.21 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-6-[6-(trifluoromethyl)-2-pyridinyl]benzoic acid is sourced from PubChem (CID 67719228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).