5-bromo-2-(2,2,2-trifluoroethoxy)pyridine;6-(2,2,2-trifluoroethoxy)pyridin-3-ol

C14H11BrF6N2O3 — CID 161432610

IUPAC5-bromo-2-(2,2,2-trifluoroethoxy)pyridine;6-(2,2,2-trifluoroethoxy)pyridin-3-ol
SMILESFC(F)(F)COc1ccc(Br)cn1.Oc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C7H5BrF3NO.C7H6F3NO2/c8-5-1-2-6(12-3-5)13-4-7(9,10)11;8-7(9,10)4-13-6-2-1-5(12)3-11-6/h1-3H,4H2;1-3,12H,4H2
InChIKeyVYFJZNZGLKHHKP-UHFFFAOYSA-N
MW449.15 g/mol
LogP4.51
Rot. Bonds4

About 5-bromo-2-(2,2,2-trifluoroethoxy)pyridine;6-(2,2,2-trifluoroethoxy)pyridin-3-ol

5-bromo-2-(2,2,2-trifluoroethoxy)pyridine;6-(2,2,2-trifluoroethoxy)pyridin-3-ol (PubChem CID 161432610) has the molecular formula C14H11BrF6N2O3 and a molecular weight of 449.15 g/mol. Its IUPAC name is 5-bromo-2-(2,2,2-trifluoroethoxy)pyridine;6-(2,2,2-trifluoroethoxy)pyridin-3-ol.

Molecular Properties

Compound Name5-bromo-2-(2,2,2-trifluoroethoxy)pyridine;6-(2,2,2-trifluoroethoxy)pyridin-3-ol
PubChem CID161432610
Molecular FormulaC14H11BrF6N2O3
Molecular Weight449.15 g/mol
Exact Mass447.99
IUPAC Name5-bromo-2-(2,2,2-trifluoroethoxy)pyridine;6-(2,2,2-trifluoroethoxy)pyridin-3-ol
SMILESFC(F)(F)COc1ccc(Br)cn1.Oc1ccc(OCC(F)(F)F)nc1
InChIInChI=1S/C7H5BrF3NO.C7H6F3NO2/c8-5-1-2-6(12-3-5)13-4-7(9,10)11;8-7(9,10)4-13-6-2-1-5(12)3-11-6/h1-3H,4H2;1-3,12H,4H2
InChIKeyVYFJZNZGLKHHKP-UHFFFAOYSA-N
XLogP4.51
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.15
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,2,2-trifluoroethoxy)pyridine;6-(2,2,2-trifluoroethoxy)pyridin-3-ol?
The IUPAC name of 5-bromo-2-(2,2,2-trifluoroethoxy)pyridine;6-(2,2,2-trifluoroethoxy)pyridin-3-ol (CID 161432610) is 5-bromo-2-(2,2,2-trifluoroethoxy)pyridine;6-(2,2,2-trifluoroethoxy)pyridin-3-ol.
What is the SMILES notation for 5-bromo-2-(2,2,2-trifluoroethoxy)pyridine;6-(2,2,2-trifluoroethoxy)pyridin-3-ol?
The canonical SMILES for 5-bromo-2-(2,2,2-trifluoroethoxy)pyridine;6-(2,2,2-trifluoroethoxy)pyridin-3-ol is FC(F)(F)COc1ccc(Br)cn1.Oc1ccc(OCC(F)(F)F)nc1.
What is the InChIKey of 5-bromo-2-(2,2,2-trifluoroethoxy)pyridine;6-(2,2,2-trifluoroethoxy)pyridin-3-ol?
The InChIKey is VYFJZNZGLKHHKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrF3NO.C7H6F3NO2/c8-5-1-2-6(12-3-5)13-4-7(9,10)11;8-7(9,10)4-13-6-2-1-5(12)3-11-6/h1-3H,4H2;1-3,12H,4H2.
What are the key properties of 5-bromo-2-(2,2,2-trifluoroethoxy)pyridine;6-(2,2,2-trifluoroethoxy)pyridin-3-ol?
5-bromo-2-(2,2,2-trifluoroethoxy)pyridine;6-(2,2,2-trifluoroethoxy)pyridin-3-ol has a molecular weight of 449.15 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,2,2-trifluoroethoxy)pyridine;6-(2,2,2-trifluoroethoxy)pyridin-3-ol is sourced from PubChem (CID 161432610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).