8-bromo-6-chloro-3-nitroimidazo[1,2-a]pyridine

C7H3BrClN3O2 — CID 46739166

IUPAC8-bromo-6-chloro-3-nitroimidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1cnc2c(Br)cc(Cl)cn12
InChIInChI=1S/C7H3BrClN3O2/c8-5-1-4(9)3-11-6(12(13)14)2-10-7(5)11/h1-3H
InChIKeyUUNOBPZRFNJWHM-UHFFFAOYSA-N
MW276.48 g/mol
LogP2.66
Rot. Bonds1

About 8-bromo-6-chloro-3-nitroimidazo[1,2-a]pyridine

8-bromo-6-chloro-3-nitroimidazo[1,2-a]pyridine (PubChem CID 46739166) has the molecular formula C7H3BrClN3O2 and a molecular weight of 276.48 g/mol. Its IUPAC name is 8-bromo-6-chloro-3-nitroimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-bromo-6-chloro-3-nitroimidazo[1,2-a]pyridine
PubChem CID46739166
Molecular FormulaC7H3BrClN3O2
Molecular Weight276.48 g/mol
Exact Mass274.91
IUPAC Name8-bromo-6-chloro-3-nitroimidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1cnc2c(Br)cc(Cl)cn12
InChIInChI=1S/C7H3BrClN3O2/c8-5-1-4(9)3-11-6(12(13)14)2-10-7(5)11/h1-3H
InChIKeyUUNOBPZRFNJWHM-UHFFFAOYSA-N
XLogP2.66
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.48
LogP ≤ 52.66
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 8-bromo-6-chloro-3-nitroimidazo[1,2-a]pyridine?
The IUPAC name of 8-bromo-6-chloro-3-nitroimidazo[1,2-a]pyridine (CID 46739166) is 8-bromo-6-chloro-3-nitroimidazo[1,2-a]pyridine.
What is the SMILES notation for 8-bromo-6-chloro-3-nitroimidazo[1,2-a]pyridine?
The canonical SMILES for 8-bromo-6-chloro-3-nitroimidazo[1,2-a]pyridine is O=[N+]([O-])c1cnc2c(Br)cc(Cl)cn12.
What is the InChIKey of 8-bromo-6-chloro-3-nitroimidazo[1,2-a]pyridine?
The InChIKey is UUNOBPZRFNJWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrClN3O2/c8-5-1-4(9)3-11-6(12(13)14)2-10-7(5)11/h1-3H.
What are the key properties of 8-bromo-6-chloro-3-nitroimidazo[1,2-a]pyridine?
8-bromo-6-chloro-3-nitroimidazo[1,2-a]pyridine has a molecular weight of 276.48 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-chloro-3-nitroimidazo[1,2-a]pyridine is sourced from PubChem (CID 46739166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).