2-[6-(trifluoromethyl)-3-pyridinyl]phenol

C12H8F3NO — CID 142726481

IUPAC2-[6-(trifluoromethyl)-3-pyridinyl]phenol
SMILESOc1ccccc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H8F3NO/c13-12(14,15)11-6-5-8(7-16-11)9-3-1-2-4-10(9)17/h1-7,17H
InChIKeyZGJZEJDPOCFOKU-UHFFFAOYSA-N
MW239.20 g/mol
LogP3.47
Rot. Bonds1

About 2-[6-(trifluoromethyl)-3-pyridinyl]phenol

2-[6-(trifluoromethyl)-3-pyridinyl]phenol (PubChem CID 142726481) has the molecular formula C12H8F3NO and a molecular weight of 239.20 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)-3-pyridinyl]phenol.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)-3-pyridinyl]phenol
PubChem CID142726481
Molecular FormulaC12H8F3NO
Molecular Weight239.20 g/mol
Exact Mass239.06
IUPAC Name2-[6-(trifluoromethyl)-3-pyridinyl]phenol
SMILESOc1ccccc1-c1ccc(C(F)(F)F)nc1
InChIInChI=1S/C12H8F3NO/c13-12(14,15)11-6-5-8(7-16-11)9-3-1-2-4-10(9)17/h1-7,17H
InChIKeyZGJZEJDPOCFOKU-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-[6-(trifluoromethyl)-3-pyridinyl]phenol?
The IUPAC name of 2-[6-(trifluoromethyl)-3-pyridinyl]phenol (CID 142726481) is 2-[6-(trifluoromethyl)-3-pyridinyl]phenol.
What is the SMILES notation for 2-[6-(trifluoromethyl)-3-pyridinyl]phenol?
The canonical SMILES for 2-[6-(trifluoromethyl)-3-pyridinyl]phenol is Oc1ccccc1-c1ccc(C(F)(F)F)nc1.
What is the InChIKey of 2-[6-(trifluoromethyl)-3-pyridinyl]phenol?
The InChIKey is ZGJZEJDPOCFOKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO/c13-12(14,15)11-6-5-8(7-16-11)9-3-1-2-4-10(9)17/h1-7,17H.
What are the key properties of 2-[6-(trifluoromethyl)-3-pyridinyl]phenol?
2-[6-(trifluoromethyl)-3-pyridinyl]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-[6-(trifluoromethyl)-3-pyridinyl]phenol is sourced from PubChem (CID 142726481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).