3-bromo-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine

C7H4BrF3N2O3 — CID 53407765

IUPAC3-bromo-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine
SMILESO=[N+]([O-])c1cnc(OCC(F)(F)F)c(Br)c1
InChIInChI=1S/C7H4BrF3N2O3/c8-5-1-4(13(14)15)2-12-6(5)16-3-7(9,10)11/h1-2H,3H2
InChIKeyRKXYCFFXBJGPMH-UHFFFAOYSA-N
MW301.02 g/mol
LogP2.69
Rot. Bonds3

About 3-bromo-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine

3-bromo-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine (PubChem CID 53407765) has the molecular formula C7H4BrF3N2O3 and a molecular weight of 301.02 g/mol. Its IUPAC name is 3-bromo-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine.

Molecular Properties

Compound Name3-bromo-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine
PubChem CID53407765
Molecular FormulaC7H4BrF3N2O3
Molecular Weight301.02 g/mol
Exact Mass299.94
IUPAC Name3-bromo-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine
SMILESO=[N+]([O-])c1cnc(OCC(F)(F)F)c(Br)c1
InChIInChI=1S/C7H4BrF3N2O3/c8-5-1-4(13(14)15)2-12-6(5)16-3-7(9,10)11/h1-2H,3H2
InChIKeyRKXYCFFXBJGPMH-UHFFFAOYSA-N
XLogP2.69
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.02
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine?
The IUPAC name of 3-bromo-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine (CID 53407765) is 3-bromo-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine.
What is the SMILES notation for 3-bromo-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine?
The canonical SMILES for 3-bromo-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine is O=[N+]([O-])c1cnc(OCC(F)(F)F)c(Br)c1.
What is the InChIKey of 3-bromo-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine?
The InChIKey is RKXYCFFXBJGPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrF3N2O3/c8-5-1-4(13(14)15)2-12-6(5)16-3-7(9,10)11/h1-2H,3H2.
What are the key properties of 3-bromo-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine?
3-bromo-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine has a molecular weight of 301.02 g/mol, XLogP of 2.69, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-nitro-2-(2,2,2-trifluoroethoxy)pyridine is sourced from PubChem (CID 53407765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).