2-(2-bromo-6-fluoro-4-nitrophenoxy)-1,3-thiazole

C9H4BrFN2O3S — CID 168937880

IUPAC2-(2-bromo-6-fluoro-4-nitrophenoxy)-1,3-thiazole
SMILESO=[N+]([O-])c1cc(F)c(Oc2nccs2)c(Br)c1
InChIInChI=1S/C9H4BrFN2O3S/c10-6-3-5(13(14)15)4-7(11)8(6)16-9-12-1-2-17-9/h1-4H
InChIKeyLGLZSSZWEJGDSD-UHFFFAOYSA-N
MW319.11 g/mol
LogP3.75
Rot. Bonds3

About 2-(2-bromo-6-fluoro-4-nitrophenoxy)-1,3-thiazole

2-(2-bromo-6-fluoro-4-nitrophenoxy)-1,3-thiazole (PubChem CID 168937880) has the molecular formula C9H4BrFN2O3S and a molecular weight of 319.11 g/mol. Its IUPAC name is 2-(2-bromo-6-fluoro-4-nitrophenoxy)-1,3-thiazole.

Molecular Properties

Compound Name2-(2-bromo-6-fluoro-4-nitrophenoxy)-1,3-thiazole
PubChem CID168937880
Molecular FormulaC9H4BrFN2O3S
Molecular Weight319.11 g/mol
Exact Mass317.91
IUPAC Name2-(2-bromo-6-fluoro-4-nitrophenoxy)-1,3-thiazole
SMILESO=[N+]([O-])c1cc(F)c(Oc2nccs2)c(Br)c1
InChIInChI=1S/C9H4BrFN2O3S/c10-6-3-5(13(14)15)4-7(11)8(6)16-9-12-1-2-17-9/h1-4H
InChIKeyLGLZSSZWEJGDSD-UHFFFAOYSA-N
XLogP3.75
TPSA65.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.11
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-(2-bromo-6-fluoro-4-nitrophenoxy)-1,3-thiazole?
The IUPAC name of 2-(2-bromo-6-fluoro-4-nitrophenoxy)-1,3-thiazole (CID 168937880) is 2-(2-bromo-6-fluoro-4-nitrophenoxy)-1,3-thiazole.
What is the SMILES notation for 2-(2-bromo-6-fluoro-4-nitrophenoxy)-1,3-thiazole?
The canonical SMILES for 2-(2-bromo-6-fluoro-4-nitrophenoxy)-1,3-thiazole is O=[N+]([O-])c1cc(F)c(Oc2nccs2)c(Br)c1.
What is the InChIKey of 2-(2-bromo-6-fluoro-4-nitrophenoxy)-1,3-thiazole?
The InChIKey is LGLZSSZWEJGDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrFN2O3S/c10-6-3-5(13(14)15)4-7(11)8(6)16-9-12-1-2-17-9/h1-4H.
What are the key properties of 2-(2-bromo-6-fluoro-4-nitrophenoxy)-1,3-thiazole?
2-(2-bromo-6-fluoro-4-nitrophenoxy)-1,3-thiazole has a molecular weight of 319.11 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-fluoro-4-nitrophenoxy)-1,3-thiazole is sourced from PubChem (CID 168937880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).