5-bromo-6-fluoro-4-(trifluoromethoxy)pyridine-2-carbonitrile

C7HBrF4N2O — CID 131279482

IUPAC5-bromo-6-fluoro-4-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1cc(OC(F)(F)F)c(Br)c(F)n1
InChIInChI=1S/C7HBrF4N2O/c8-5-4(15-7(10,11)12)1-3(2-13)14-6(5)9/h1H
InChIKeyKLKAUSGWHUEMNH-UHFFFAOYSA-N
MW284.99 g/mol
LogP2.75
Rot. Bonds1

About 5-bromo-6-fluoro-4-(trifluoromethoxy)pyridine-2-carbonitrile

5-bromo-6-fluoro-4-(trifluoromethoxy)pyridine-2-carbonitrile (PubChem CID 131279482) has the molecular formula C7HBrF4N2O and a molecular weight of 284.99 g/mol. Its IUPAC name is 5-bromo-6-fluoro-4-(trifluoromethoxy)pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-bromo-6-fluoro-4-(trifluoromethoxy)pyridine-2-carbonitrile
PubChem CID131279482
Molecular FormulaC7HBrF4N2O
Molecular Weight284.99 g/mol
Exact Mass283.92
IUPAC Name5-bromo-6-fluoro-4-(trifluoromethoxy)pyridine-2-carbonitrile
SMILESN#Cc1cc(OC(F)(F)F)c(Br)c(F)n1
InChIInChI=1S/C7HBrF4N2O/c8-5-4(15-7(10,11)12)1-3(2-13)14-6(5)9/h1H
InChIKeyKLKAUSGWHUEMNH-UHFFFAOYSA-N
XLogP2.75
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.99
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 119013383
6-bromo-4-fluoro-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118997727
5-amino-4-bromo-6-(trifluoromethoxy)pyridine-2-carbonitrile
CID 131279576
4-(bromomethyl)-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 130091879
6-(chloromethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118804353
6-bromo-4-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 119016947
6-bromo-5-iodo-3-(trifluoromethoxy)pyridine-2-carbonitrile
CID 119012441
6-(aminomethyl)-4-bromo-5-(trifluoromethoxy)pyridine-2-carbonitrile
CID 118814478
2,4-dibromo-1,3-difluoro-5-(trifluoromethoxy)benzene
CID 118819001
5-(fluoromethyl)-4-(trifluoromethoxy)pyridine-2-carbonitrile
CID 133094874
6-bromo-2-iodo-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119023064
2,3-dibromo-6-fluoro-5-(trifluoromethoxy)pyridine
CID 118820838

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-4-(trifluoromethoxy)pyridine-2-carbonitrile?
The IUPAC name of 5-bromo-6-fluoro-4-(trifluoromethoxy)pyridine-2-carbonitrile (CID 131279482) is 5-bromo-6-fluoro-4-(trifluoromethoxy)pyridine-2-carbonitrile.
What is the SMILES notation for 5-bromo-6-fluoro-4-(trifluoromethoxy)pyridine-2-carbonitrile?
The canonical SMILES for 5-bromo-6-fluoro-4-(trifluoromethoxy)pyridine-2-carbonitrile is N#Cc1cc(OC(F)(F)F)c(Br)c(F)n1.
What is the InChIKey of 5-bromo-6-fluoro-4-(trifluoromethoxy)pyridine-2-carbonitrile?
The InChIKey is KLKAUSGWHUEMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7HBrF4N2O/c8-5-4(15-7(10,11)12)1-3(2-13)14-6(5)9/h1H.
What are the key properties of 5-bromo-6-fluoro-4-(trifluoromethoxy)pyridine-2-carbonitrile?
5-bromo-6-fluoro-4-(trifluoromethoxy)pyridine-2-carbonitrile has a molecular weight of 284.99 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-4-(trifluoromethoxy)pyridine-2-carbonitrile is sourced from PubChem (CID 131279482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).