4-bromo-2-fluoro-5-(trifluoromethoxy)pyridin-3-ol

C6H2BrF4NO2 — CID 118806360

IUPAC4-bromo-2-fluoro-5-(trifluoromethoxy)pyridin-3-ol
SMILESOc1c(F)ncc(OC(F)(F)F)c1Br
InChIInChI=1S/C6H2BrF4NO2/c7-3-2(14-6(9,10)11)1-12-5(8)4(3)13/h1,13H
InChIKeyIATIQUPBFLOKKF-UHFFFAOYSA-N
MW275.98 g/mol
LogP2.59
Rot. Bonds1

About 4-bromo-2-fluoro-5-(trifluoromethoxy)pyridin-3-ol

4-bromo-2-fluoro-5-(trifluoromethoxy)pyridin-3-ol (PubChem CID 118806360) has the molecular formula C6H2BrF4NO2 and a molecular weight of 275.98 g/mol. Its IUPAC name is 4-bromo-2-fluoro-5-(trifluoromethoxy)pyridin-3-ol.

Molecular Properties

Compound Name4-bromo-2-fluoro-5-(trifluoromethoxy)pyridin-3-ol
PubChem CID118806360
Molecular FormulaC6H2BrF4NO2
Molecular Weight275.98 g/mol
Exact Mass274.92
IUPAC Name4-bromo-2-fluoro-5-(trifluoromethoxy)pyridin-3-ol
SMILESOc1c(F)ncc(OC(F)(F)F)c1Br
InChIInChI=1S/C6H2BrF4NO2/c7-3-2(14-6(9,10)11)1-12-5(8)4(3)13/h1,13H
InChIKeyIATIQUPBFLOKKF-UHFFFAOYSA-N
XLogP2.59
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.98
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-5-(trifluoromethoxy)pyridin-3-ol?
The IUPAC name of 4-bromo-2-fluoro-5-(trifluoromethoxy)pyridin-3-ol (CID 118806360) is 4-bromo-2-fluoro-5-(trifluoromethoxy)pyridin-3-ol.
What is the SMILES notation for 4-bromo-2-fluoro-5-(trifluoromethoxy)pyridin-3-ol?
The canonical SMILES for 4-bromo-2-fluoro-5-(trifluoromethoxy)pyridin-3-ol is Oc1c(F)ncc(OC(F)(F)F)c1Br.
What is the InChIKey of 4-bromo-2-fluoro-5-(trifluoromethoxy)pyridin-3-ol?
The InChIKey is IATIQUPBFLOKKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrF4NO2/c7-3-2(14-6(9,10)11)1-12-5(8)4(3)13/h1,13H.
What are the key properties of 4-bromo-2-fluoro-5-(trifluoromethoxy)pyridin-3-ol?
4-bromo-2-fluoro-5-(trifluoromethoxy)pyridin-3-ol has a molecular weight of 275.98 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-5-(trifluoromethoxy)pyridin-3-ol is sourced from PubChem (CID 118806360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).