2-bromo-3-chloro-6-methoxyimidazo[1,2-a]pyrazine

C7H5BrClN3O — CID 84710820

IUPAC2-bromo-3-chloro-6-methoxyimidazo[1,2-a]pyrazine
SMILESCOc1cn2c(Cl)c(Br)nc2cn1
InChIInChI=1S/C7H5BrClN3O/c1-13-5-3-12-4(2-10-5)11-6(8)7(12)9/h2-3H,1H3
InChIKeyXGYPYOYXDOYNNJ-UHFFFAOYSA-N
MW262.49 g/mol
LogP2.15
Rot. Bonds1

About 2-bromo-3-chloro-6-methoxyimidazo[1,2-a]pyrazine

2-bromo-3-chloro-6-methoxyimidazo[1,2-a]pyrazine (PubChem CID 84710820) has the molecular formula C7H5BrClN3O and a molecular weight of 262.49 g/mol. Its IUPAC name is 2-bromo-3-chloro-6-methoxyimidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name2-bromo-3-chloro-6-methoxyimidazo[1,2-a]pyrazine
PubChem CID84710820
Molecular FormulaC7H5BrClN3O
Molecular Weight262.49 g/mol
Exact Mass260.93
IUPAC Name2-bromo-3-chloro-6-methoxyimidazo[1,2-a]pyrazine
SMILESCOc1cn2c(Cl)c(Br)nc2cn1
InChIInChI=1S/C7H5BrClN3O/c1-13-5-3-12-4(2-10-5)11-6(8)7(12)9/h2-3H,1H3
InChIKeyXGYPYOYXDOYNNJ-UHFFFAOYSA-N
XLogP2.15
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.49
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-chloro-6-methoxyimidazo[1,2-a]pyrazine?
The IUPAC name of 2-bromo-3-chloro-6-methoxyimidazo[1,2-a]pyrazine (CID 84710820) is 2-bromo-3-chloro-6-methoxyimidazo[1,2-a]pyrazine.
What is the SMILES notation for 2-bromo-3-chloro-6-methoxyimidazo[1,2-a]pyrazine?
The canonical SMILES for 2-bromo-3-chloro-6-methoxyimidazo[1,2-a]pyrazine is COc1cn2c(Cl)c(Br)nc2cn1.
What is the InChIKey of 2-bromo-3-chloro-6-methoxyimidazo[1,2-a]pyrazine?
The InChIKey is XGYPYOYXDOYNNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrClN3O/c1-13-5-3-12-4(2-10-5)11-6(8)7(12)9/h2-3H,1H3.
What are the key properties of 2-bromo-3-chloro-6-methoxyimidazo[1,2-a]pyrazine?
2-bromo-3-chloro-6-methoxyimidazo[1,2-a]pyrazine has a molecular weight of 262.49 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-chloro-6-methoxyimidazo[1,2-a]pyrazine is sourced from PubChem (CID 84710820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).