8-bromo-6-chloro-3-nitro-2-(pyridin-3-ylsulfonylmethyl)imidazo[1,2-a]pyridine

C13H8BrClN4O4S — CID 162671942

IUPAC8-bromo-6-chloro-3-nitro-2-(pyridin-3-ylsulfonylmethyl)imidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1c(CS(=O)(=O)c2cccnc2)nc2c(Br)cc(Cl)cn12
InChIInChI=1S/C13H8BrClN4O4S/c14-10-4-8(15)6-18-12(10)17-11(13(18)19(20)21)7-24(22,23)9-2-1-3-16-5-9/h1-6H,7H2
InChIKeyVALFUCYXNHCWLF-UHFFFAOYSA-N
MW431.66 g/mol
LogP3.03
Rot. Bonds4

About 8-bromo-6-chloro-3-nitro-2-(pyridin-3-ylsulfonylmethyl)imidazo[1,2-a]pyridine

8-bromo-6-chloro-3-nitro-2-(pyridin-3-ylsulfonylmethyl)imidazo[1,2-a]pyridine (PubChem CID 162671942) has the molecular formula C13H8BrClN4O4S and a molecular weight of 431.66 g/mol. Its IUPAC name is 8-bromo-6-chloro-3-nitro-2-(pyridin-3-ylsulfonylmethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-bromo-6-chloro-3-nitro-2-(pyridin-3-ylsulfonylmethyl)imidazo[1,2-a]pyridine
PubChem CID162671942
Molecular FormulaC13H8BrClN4O4S
Molecular Weight431.66 g/mol
Exact Mass429.91
IUPAC Name8-bromo-6-chloro-3-nitro-2-(pyridin-3-ylsulfonylmethyl)imidazo[1,2-a]pyridine
SMILESO=[N+]([O-])c1c(CS(=O)(=O)c2cccnc2)nc2c(Br)cc(Cl)cn12
InChIInChI=1S/C13H8BrClN4O4S/c14-10-4-8(15)6-18-12(10)17-11(13(18)19(20)21)7-24(22,23)9-2-1-3-16-5-9/h1-6H,7H2
InChIKeyVALFUCYXNHCWLF-UHFFFAOYSA-N
XLogP3.03
TPSA107.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.66
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 8-bromo-6-chloro-3-nitro-2-(pyridin-3-ylsulfonylmethyl)imidazo[1,2-a]pyridine 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 8-bromo-6-chloro-3-nitro-2-(pyridin-3-ylsulfonylmethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 8-bromo-6-chloro-3-nitro-2-(pyridin-3-ylsulfonylmethyl)imidazo[1,2-a]pyridine (CID 162671942) is 8-bromo-6-chloro-3-nitro-2-(pyridin-3-ylsulfonylmethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 8-bromo-6-chloro-3-nitro-2-(pyridin-3-ylsulfonylmethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 8-bromo-6-chloro-3-nitro-2-(pyridin-3-ylsulfonylmethyl)imidazo[1,2-a]pyridine is O=[N+]([O-])c1c(CS(=O)(=O)c2cccnc2)nc2c(Br)cc(Cl)cn12.
What is the InChIKey of 8-bromo-6-chloro-3-nitro-2-(pyridin-3-ylsulfonylmethyl)imidazo[1,2-a]pyridine?
The InChIKey is VALFUCYXNHCWLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN4O4S/c14-10-4-8(15)6-18-12(10)17-11(13(18)19(20)21)7-24(22,23)9-2-1-3-16-5-9/h1-6H,7H2.
What are the key properties of 8-bromo-6-chloro-3-nitro-2-(pyridin-3-ylsulfonylmethyl)imidazo[1,2-a]pyridine?
8-bromo-6-chloro-3-nitro-2-(pyridin-3-ylsulfonylmethyl)imidazo[1,2-a]pyridine has a molecular weight of 431.66 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-chloro-3-nitro-2-(pyridin-3-ylsulfonylmethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 162671942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).