6-bromo-5-chloro-8-methoxyimidazo[1,5-a]pyridine

C8H6BrClN2O — CID 144996762

IUPAC6-bromo-5-chloro-8-methoxyimidazo[1,5-a]pyridine
SMILESCOc1cc(Br)c(Cl)n2cncc12
InChIInChI=1S/C8H6BrClN2O/c1-13-7-2-5(9)8(10)12-4-11-3-6(7)12/h2-4H,1H3
InChIKeyFTBSMGPJPOVEGD-UHFFFAOYSA-N
MW261.51 g/mol
LogP2.76
Rot. Bonds1

About 6-bromo-5-chloro-8-methoxyimidazo[1,5-a]pyridine

6-bromo-5-chloro-8-methoxyimidazo[1,5-a]pyridine (PubChem CID 144996762) has the molecular formula C8H6BrClN2O and a molecular weight of 261.51 g/mol. Its IUPAC name is 6-bromo-5-chloro-8-methoxyimidazo[1,5-a]pyridine.

Molecular Properties

Compound Name6-bromo-5-chloro-8-methoxyimidazo[1,5-a]pyridine
PubChem CID144996762
Molecular FormulaC8H6BrClN2O
Molecular Weight261.51 g/mol
Exact Mass259.94
IUPAC Name6-bromo-5-chloro-8-methoxyimidazo[1,5-a]pyridine
SMILESCOc1cc(Br)c(Cl)n2cncc12
InChIInChI=1S/C8H6BrClN2O/c1-13-7-2-5(9)8(10)12-4-11-3-6(7)12/h2-4H,1H3
InChIKeyFTBSMGPJPOVEGD-UHFFFAOYSA-N
XLogP2.76
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.51
LogP ≤ 52.76
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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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-chloro-8-methoxyimidazo[1,5-a]pyridine?
The IUPAC name of 6-bromo-5-chloro-8-methoxyimidazo[1,5-a]pyridine (CID 144996762) is 6-bromo-5-chloro-8-methoxyimidazo[1,5-a]pyridine.
What is the SMILES notation for 6-bromo-5-chloro-8-methoxyimidazo[1,5-a]pyridine?
The canonical SMILES for 6-bromo-5-chloro-8-methoxyimidazo[1,5-a]pyridine is COc1cc(Br)c(Cl)n2cncc12.
What is the InChIKey of 6-bromo-5-chloro-8-methoxyimidazo[1,5-a]pyridine?
The InChIKey is FTBSMGPJPOVEGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrClN2O/c1-13-7-2-5(9)8(10)12-4-11-3-6(7)12/h2-4H,1H3.
What are the key properties of 6-bromo-5-chloro-8-methoxyimidazo[1,5-a]pyridine?
6-bromo-5-chloro-8-methoxyimidazo[1,5-a]pyridine has a molecular weight of 261.51 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-chloro-8-methoxyimidazo[1,5-a]pyridine is sourced from PubChem (CID 144996762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).