2-pyridin-2-ylphenol;2,2,2-trifluoroacetic acid

C13H10F3NO3 — CID 175838971

IUPAC2-pyridin-2-ylphenol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.Oc1ccccc1-c1ccccn1
InChIInChI=1S/C11H9NO.C2HF3O2/c13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;3-2(4,5)1(6)7/h1-8,13H;(H,6,7)
InChIKeyYVHBDVRLCJPYFI-UHFFFAOYSA-N
MW285.22 g/mol
LogP3.09
Rot. Bonds1

About 2-pyridin-2-ylphenol;2,2,2-trifluoroacetic acid

2-pyridin-2-ylphenol;2,2,2-trifluoroacetic acid (PubChem CID 175838971) has the molecular formula C13H10F3NO3 and a molecular weight of 285.22 g/mol. Its IUPAC name is 2-pyridin-2-ylphenol;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-pyridin-2-ylphenol;2,2,2-trifluoroacetic acid
PubChem CID175838971
Molecular FormulaC13H10F3NO3
Molecular Weight285.22 g/mol
Exact Mass285.06
IUPAC Name2-pyridin-2-ylphenol;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.Oc1ccccc1-c1ccccn1
InChIInChI=1S/C11H9NO.C2HF3O2/c13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;3-2(4,5)1(6)7/h1-8,13H;(H,6,7)
InChIKeyYVHBDVRLCJPYFI-UHFFFAOYSA-N
XLogP3.09
TPSA70.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.22
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylphenol;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-pyridin-2-ylphenol;2,2,2-trifluoroacetic acid (CID 175838971) is 2-pyridin-2-ylphenol;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-pyridin-2-ylphenol;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-pyridin-2-ylphenol;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.Oc1ccccc1-c1ccccn1.
What is the InChIKey of 2-pyridin-2-ylphenol;2,2,2-trifluoroacetic acid?
The InChIKey is YVHBDVRLCJPYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO.C2HF3O2/c13-11-7-2-1-5-9(11)10-6-3-4-8-12-10;3-2(4,5)1(6)7/h1-8,13H;(H,6,7).
What are the key properties of 2-pyridin-2-ylphenol;2,2,2-trifluoroacetic acid?
2-pyridin-2-ylphenol;2,2,2-trifluoroacetic acid has a molecular weight of 285.22 g/mol, XLogP of 3.09, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylphenol;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175838971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).