[5-fluoro-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methanol

C13H9F4NO2 — CID 133089338

IUPAC[5-fluoro-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methanol
SMILESOCc1ccc(F)c(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C13H9F4NO2/c14-11-6-3-9(7-19)18-12(11)8-1-4-10(5-2-8)20-13(15,16)17/h1-6,19H,7H2
InChIKeyJDUNOZWYARTEEB-UHFFFAOYSA-N
MW287.21 g/mol
LogP3.28
Rot. Bonds3

About [5-fluoro-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methanol

[5-fluoro-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methanol (PubChem CID 133089338) has the molecular formula C13H9F4NO2 and a molecular weight of 287.21 g/mol. Its IUPAC name is [5-fluoro-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methanol.

Molecular Properties

Compound Name[5-fluoro-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methanol
PubChem CID133089338
Molecular FormulaC13H9F4NO2
Molecular Weight287.21 g/mol
Exact Mass287.06
IUPAC Name[5-fluoro-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methanol
SMILESOCc1ccc(F)c(-c2ccc(OC(F)(F)F)cc2)n1
InChIInChI=1S/C13H9F4NO2/c14-11-6-3-9(7-19)18-12(11)8-1-4-10(5-2-8)20-13(15,16)17/h1-6,19H,7H2
InChIKeyJDUNOZWYARTEEB-UHFFFAOYSA-N
XLogP3.28
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.21
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,5-trifluoro-6-[4-(trifluoromethoxy)phenyl]pyridine
CID 118809583
[2,6-bis[4-(trifluoromethoxy)phenyl]-3-pyridinyl]methanol
CID 134618312
[3,5-dichloro-2-[4-(trifluoromethoxy)phenyl]-4-pyridinyl]methanol
CID 134623616
2-fluoro-5-[4-(trifluoromethoxy)phenyl]phenol
CID 53219695
[5-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-3-yl]methanol
CID 23205017
[6-(trifluoromethoxy)-2-pyridinyl]methanol
CID 130088886
4-fluoro-3-[4-(trifluoromethoxy)phenyl]aniline
CID 112694313
5,6-bis[4-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
CID 134629132
2-(chloromethyl)-5-[4-(trifluoromethoxy)phenyl]pyridine
CID 154074447
1,2-difluoro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 118854668
5-amino-6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylic acid
CID 151499726
2-[5-fluoro-2-[4-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid
CID 133089301

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methanol?
The IUPAC name of [5-fluoro-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methanol (CID 133089338) is [5-fluoro-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methanol.
What is the SMILES notation for [5-fluoro-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methanol?
The canonical SMILES for [5-fluoro-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methanol is OCc1ccc(F)c(-c2ccc(OC(F)(F)F)cc2)n1.
What is the InChIKey of [5-fluoro-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methanol?
The InChIKey is JDUNOZWYARTEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F4NO2/c14-11-6-3-9(7-19)18-12(11)8-1-4-10(5-2-8)20-13(15,16)17/h1-6,19H,7H2.
What are the key properties of [5-fluoro-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methanol?
[5-fluoro-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methanol has a molecular weight of 287.21 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]methanol is sourced from PubChem (CID 133089338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).