pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol

C13H10F3NO — CID 53016961

IUPACpyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)c1cccnc1
InChIInChI=1S/C13H10F3NO/c14-13(15,16)11-5-3-9(4-6-11)12(18)10-2-1-7-17-8-10/h1-8,12,18H
InChIKeyATJLYOJRNWPTQE-UHFFFAOYSA-N
MW253.22 g/mol
LogP3.18
Rot. Bonds2

About pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol

pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol (PubChem CID 53016961) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Namepyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
PubChem CID53016961
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Namepyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)c1cccnc1
InChIInChI=1S/C13H10F3NO/c14-13(15,16)11-5-3-9(4-6-11)12(18)10-2-1-7-17-8-10/h1-8,12,18H
InChIKeyATJLYOJRNWPTQE-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol (CID 53016961) is pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol is OC(c1ccc(C(F)(F)F)cc1)c1cccnc1.
What is the InChIKey of pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is ATJLYOJRNWPTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO/c14-13(15,16)11-5-3-9(4-6-11)12(18)10-2-1-7-17-8-10/h1-8,12,18H.
What are the key properties of pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol?
pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 253.22 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-yl-[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 53016961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).