3-bromo-5-hydroxy-6-(trifluoromethoxy)pyridine-2-carbonitrile

C7H2BrF3N2O2 — CID 131443409

IUPAC3-bromo-5-hydroxy-6-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1nc(OC(F)(F)F)c(O)cc1Br
InChIInChI=1S/C7H2BrF3N2O2/c8-3-1-5(14)6(13-4(3)2-12)15-7(9,10)11/h1,14H
InChIKeyCYYZBJRZXPMGMD-UHFFFAOYSA-N
MW283.00 g/mol
LogP2.32
Rot. Bonds1

About 3-bromo-5-hydroxy-6-(trifluoromethoxy)pyridine-2-carbonitrile

3-bromo-5-hydroxy-6-(trifluoromethoxy)pyridine-2-carbonitrile (PubChem CID 131443409) has the molecular formula C7H2BrF3N2O2 and a molecular weight of 283.00 g/mol. Its IUPAC name is 3-bromo-5-hydroxy-6-(trifluoromethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-bromo-5-hydroxy-6-(trifluoromethoxy)pyridine-2-carbonitrile
PubChem CID131443409
Molecular FormulaC7H2BrF3N2O2
Molecular Weight283.00 g/mol
Exact Mass281.93
IUPAC Name3-bromo-5-hydroxy-6-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1nc(OC(F)(F)F)c(O)cc1Br
InChIInChI=1S/C7H2BrF3N2O2/c8-3-1-5(14)6(13-4(3)2-12)15-7(9,10)11/h1,14H
InChIKeyCYYZBJRZXPMGMD-UHFFFAOYSA-N
XLogP2.32
TPSA66.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.00
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-bromo-5-hydroxy-6-(trifluoromethoxy)pyridine-2-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-hydroxy-6-(trifluoromethoxy)pyridine-2-carbonitrile?
The IUPAC name of 3-bromo-5-hydroxy-6-(trifluoromethoxy)pyridine-2-carbonitrile (CID 131443409) is 3-bromo-5-hydroxy-6-(trifluoromethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 3-bromo-5-hydroxy-6-(trifluoromethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 3-bromo-5-hydroxy-6-(trifluoromethoxy)pyridine-2-carbonitrile is N#Cc1nc(OC(F)(F)F)c(O)cc1Br.
What is the InChIKey of 3-bromo-5-hydroxy-6-(trifluoromethoxy)pyridine-2-carbonitrile?
The InChIKey is CYYZBJRZXPMGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2BrF3N2O2/c8-3-1-5(14)6(13-4(3)2-12)15-7(9,10)11/h1,14H.
What are the key properties of 3-bromo-5-hydroxy-6-(trifluoromethoxy)pyridine-2-carbonitrile?
3-bromo-5-hydroxy-6-(trifluoromethoxy)pyridine-2-carbonitrile has a molecular weight of 283.00 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-hydroxy-6-(trifluoromethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 131443409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).