2-[[2-(trifluoromethyl)-4-pyridinyl]methyl]phenol

C13H10F3NO — CID 162542141

IUPAC2-[[2-(trifluoromethyl)-4-pyridinyl]methyl]phenol
SMILESOc1ccccc1Cc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C13H10F3NO/c14-13(15,16)12-8-9(5-6-17-12)7-10-3-1-2-4-11(10)18/h1-6,8,18H,7H2
InChIKeyQINNXFISGNPBOO-UHFFFAOYSA-N
MW253.22 g/mol
LogP3.40
Rot. Bonds2

About 2-[[2-(trifluoromethyl)-4-pyridinyl]methyl]phenol

2-[[2-(trifluoromethyl)-4-pyridinyl]methyl]phenol (PubChem CID 162542141) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is 2-[[2-(trifluoromethyl)-4-pyridinyl]methyl]phenol.

Molecular Properties

Compound Name2-[[2-(trifluoromethyl)-4-pyridinyl]methyl]phenol
PubChem CID162542141
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name2-[[2-(trifluoromethyl)-4-pyridinyl]methyl]phenol
SMILESOc1ccccc1Cc1ccnc(C(F)(F)F)c1
InChIInChI=1S/C13H10F3NO/c14-13(15,16)12-8-9(5-6-17-12)7-10-3-1-2-4-11(10)18/h1-6,8,18H,7H2
InChIKeyQINNXFISGNPBOO-UHFFFAOYSA-N
XLogP3.40
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(trifluoromethyl)-4-pyridinyl]methyl]phenol?
The IUPAC name of 2-[[2-(trifluoromethyl)-4-pyridinyl]methyl]phenol (CID 162542141) is 2-[[2-(trifluoromethyl)-4-pyridinyl]methyl]phenol.
What is the SMILES notation for 2-[[2-(trifluoromethyl)-4-pyridinyl]methyl]phenol?
The canonical SMILES for 2-[[2-(trifluoromethyl)-4-pyridinyl]methyl]phenol is Oc1ccccc1Cc1ccnc(C(F)(F)F)c1.
What is the InChIKey of 2-[[2-(trifluoromethyl)-4-pyridinyl]methyl]phenol?
The InChIKey is QINNXFISGNPBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO/c14-13(15,16)12-8-9(5-6-17-12)7-10-3-1-2-4-11(10)18/h1-6,8,18H,7H2.
What are the key properties of 2-[[2-(trifluoromethyl)-4-pyridinyl]methyl]phenol?
2-[[2-(trifluoromethyl)-4-pyridinyl]methyl]phenol has a molecular weight of 253.22 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(trifluoromethyl)-4-pyridinyl]methyl]phenol is sourced from PubChem (CID 162542141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).