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

C13H9BrF3NO2 — CID 20794877

IUPAC(5-bromo-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanol
SMILESOC(c1ccc(OC(F)(F)F)cc1)c1ccc(Br)cn1
InChIInChI=1S/C13H9BrF3NO2/c14-9-3-6-11(18-7-9)12(19)8-1-4-10(5-2-8)20-13(15,16)17/h1-7,12,19H
InChIKeyXVSDQGMRIDJHBP-UHFFFAOYSA-N
MW348.12 g/mol
LogP3.82
Rot. Bonds3

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

(5-bromo-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanol (PubChem CID 20794877) has the molecular formula C13H9BrF3NO2 and a molecular weight of 348.12 g/mol. Its IUPAC name is (5-bromo-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(5-bromo-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanol
PubChem CID20794877
Molecular FormulaC13H9BrF3NO2
Molecular Weight348.12 g/mol
Exact Mass346.98
IUPAC Name(5-bromo-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanol
SMILESOC(c1ccc(OC(F)(F)F)cc1)c1ccc(Br)cn1
InChIInChI=1S/C13H9BrF3NO2/c14-9-3-6-11(18-7-9)12(19)8-1-4-10(5-2-8)20-13(15,16)17/h1-7,12,19H
InChIKeyXVSDQGMRIDJHBP-UHFFFAOYSA-N
XLogP3.82
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.12
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-bromo-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of (5-bromo-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanol (CID 20794877) is (5-bromo-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for (5-bromo-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for (5-bromo-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanol is OC(c1ccc(OC(F)(F)F)cc1)c1ccc(Br)cn1.
What is the InChIKey of (5-bromo-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanol?
The InChIKey is XVSDQGMRIDJHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrF3NO2/c14-9-3-6-11(18-7-9)12(19)8-1-4-10(5-2-8)20-13(15,16)17/h1-7,12,19H.
What are the key properties of (5-bromo-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanol?
(5-bromo-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanol has a molecular weight of 348.12 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-2-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 20794877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).