6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-3-ol

C6H2BrClF3NO2 — CID 118995388

IUPAC6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-3-ol
SMILESOc1cnc(Br)c(OC(F)(F)F)c1Cl
InChIInChI=1S/C6H2BrClF3NO2/c7-5-4(14-6(9,10)11)3(8)2(13)1-12-5/h1,13H
InChIKeyKOGDUCPZAGMEPR-UHFFFAOYSA-N
MW292.44 g/mol
LogP3.10
Rot. Bonds1

About 6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-3-ol

6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-3-ol (PubChem CID 118995388) has the molecular formula C6H2BrClF3NO2 and a molecular weight of 292.44 g/mol. Its IUPAC name is 6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-3-ol.

Molecular Properties

Compound Name6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-3-ol
PubChem CID118995388
Molecular FormulaC6H2BrClF3NO2
Molecular Weight292.44 g/mol
Exact Mass290.89
IUPAC Name6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-3-ol
SMILESOc1cnc(Br)c(OC(F)(F)F)c1Cl
InChIInChI=1S/C6H2BrClF3NO2/c7-5-4(14-6(9,10)11)3(8)2(13)1-12-5/h1,13H
InChIKeyKOGDUCPZAGMEPR-UHFFFAOYSA-N
XLogP3.10
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.44
LogP ≤ 53.10
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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Related Compounds

3-Bromo-2-chloro-5-(difluoromethoxy)pyridine
CID 14740057
3-Bromo-2-chloro-5-(trifluoromethoxy)pyridine
CID 130089304
5-Bromo-2-chloro-3-(2,2-difluoroethoxy)pyridine
CID 137377826
5-Bromo-4-chloropyridin-3-ol
CID 71464142
2-Bromo-5-chloro-3-(difluoromethoxy)pyridine
CID 14740056
5-Bromo-2-chloro-3-(difluoromethoxy)pyridine
CID 87167402
2-Bromo-3-chloro-5-(difluoromethoxy)pyridine
CID 91809583
5-Bromo-2-chloro-3-(trifluoromethoxy)pyridine
CID 129319097
4-Bromo-2-chloro-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine
CID 118800329
4-Bromo-2-fluoro-5-(trifluoromethoxy)pyridin-3-ol
CID 118806360
4-Amino-2-chloro-5-(trifluoromethoxy)pyridin-3-ol
CID 118806715
2,3,4-Tribromo-5-(trifluoromethoxy)pyridine
CID 118809447

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-3-ol?
The IUPAC name of 6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-3-ol (CID 118995388) is 6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-3-ol.
What is the SMILES notation for 6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-3-ol?
The canonical SMILES for 6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-3-ol is Oc1cnc(Br)c(OC(F)(F)F)c1Cl.
What is the InChIKey of 6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-3-ol?
The InChIKey is KOGDUCPZAGMEPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2BrClF3NO2/c7-5-4(14-6(9,10)11)3(8)2(13)1-12-5/h1,13H.
What are the key properties of 6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-3-ol?
6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-3-ol has a molecular weight of 292.44 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-chloro-5-(trifluoromethoxy)pyridin-3-ol is sourced from PubChem (CID 118995388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).