2-pyridin-3-yl-5-(trifluoromethyl)phenol

C12H8F3NO — CID 46317345

IUPAC2-pyridin-3-yl-5-(trifluoromethyl)phenol
SMILESOc1cc(C(F)(F)F)ccc1-c1cccnc1
InChIInChI=1S/C12H8F3NO/c13-12(14,15)9-3-4-10(11(17)6-9)8-2-1-5-16-7-8/h1-7,17H
InChIKeyLASHVCBNYZFYTE-UHFFFAOYSA-N
MW239.20 g/mol
LogP3.47
Rot. Bonds1

About 2-pyridin-3-yl-5-(trifluoromethyl)phenol

2-pyridin-3-yl-5-(trifluoromethyl)phenol (PubChem CID 46317345) has the molecular formula C12H8F3NO and a molecular weight of 239.20 g/mol. Its IUPAC name is 2-pyridin-3-yl-5-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-pyridin-3-yl-5-(trifluoromethyl)phenol
PubChem CID46317345
Molecular FormulaC12H8F3NO
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name2-pyridin-3-yl-5-(trifluoromethyl)phenol
SMILESOc1cc(C(F)(F)F)ccc1-c1cccnc1
InChIInChI=1S/C12H8F3NO/c13-12(14,15)9-3-4-10(11(17)6-9)8-2-1-5-16-7-8/h1-7,17H
InChIKeyLASHVCBNYZFYTE-UHFFFAOYSA-N
XLogP3.47
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.20
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yl-5-(trifluoromethyl)phenol?
The IUPAC name of 2-pyridin-3-yl-5-(trifluoromethyl)phenol (CID 46317345) is 2-pyridin-3-yl-5-(trifluoromethyl)phenol.
What is the SMILES notation for 2-pyridin-3-yl-5-(trifluoromethyl)phenol?
The canonical SMILES for 2-pyridin-3-yl-5-(trifluoromethyl)phenol is Oc1cc(C(F)(F)F)ccc1-c1cccnc1.
What is the InChIKey of 2-pyridin-3-yl-5-(trifluoromethyl)phenol?
The InChIKey is LASHVCBNYZFYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO/c13-12(14,15)9-3-4-10(11(17)6-9)8-2-1-5-16-7-8/h1-7,17H.
What are the key properties of 2-pyridin-3-yl-5-(trifluoromethyl)phenol?
2-pyridin-3-yl-5-(trifluoromethyl)phenol has a molecular weight of 239.20 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yl-5-(trifluoromethyl)phenol is sourced from PubChem (CID 46317345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).