[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methanol

C13H10F3NO — CID 24729851

IUPAC[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methanol
SMILESOCc1cncc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C13H10F3NO/c14-13(15,16)12-3-1-2-10(5-12)11-4-9(8-18)6-17-7-11/h1-7,18H,8H2
InChIKeyHAYLNFKOVWRRHO-UHFFFAOYSA-N
MW253.22 g/mol
LogP3.26
Rot. Bonds2

About [5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methanol

[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methanol (PubChem CID 24729851) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is [5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methanol
PubChem CID24729851
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methanol
SMILESOCc1cncc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C13H10F3NO/c14-13(15,16)12-3-1-2-10(5-12)11-4-9(8-18)6-17-7-11/h1-7,18H,8H2
InChIKeyHAYLNFKOVWRRHO-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-N-[[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methyl]ethanamine
CID 46044426
[3-amino-5-[3-(trifluoromethyl)phenyl]phenyl]methanol
CID 146020152
3-[(2-chlorophenoxy)methyl]-5-[3-(trifluoromethyl)phenyl]pyridine
CID 46044327
5-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 24729811
3-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-ol
CID 170887677
3-(3-methylphenyl)-5-(trifluoromethyl)pyridine
CID 59578611
[4-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 50961962
[2-fluoro-6-[3-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 133089796
2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol
CID 10683160
[5-[3-(trifluoromethyl)phenyl]-1,3-thiazol-2-yl]methanol
CID 66939465
[3-[3-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 134621668
3-[3-(hydroxymethyl)phenyl]-5-(trifluoromethyl)benzoic acid
CID 53225363

Frequently Asked Questions

What is the IUPAC name of [5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methanol?
The IUPAC name of [5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methanol (CID 24729851) is [5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methanol.
What is the SMILES notation for [5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methanol?
The canonical SMILES for [5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methanol is OCc1cncc(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of [5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methanol?
The InChIKey is HAYLNFKOVWRRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO/c14-13(15,16)12-3-1-2-10(5-12)11-4-9(8-18)6-17-7-11/h1-7,18H,8H2.
What are the key properties of [5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methanol?
[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methanol has a molecular weight of 253.22 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methanol is sourced from PubChem (CID 24729851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).