ethyl 2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)acetate

C10H9BrClN3O2 — CID 145429533

IUPACethyl 2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)acetate
SMILESCCOC(=O)Cc1nc(Br)c2c(Cl)nccn12
InChIInChI=1S/C10H9BrClN3O2/c1-2-17-7(16)5-6-14-9(11)8-10(12)13-3-4-15(6)8/h3-4H,2,5H2,1H3
InChIKeyYGUSLOXWPILIBW-UHFFFAOYSA-N
MW318.56 g/mol
LogP2.25
Rot. Bonds3

About ethyl 2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)acetate

ethyl 2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)acetate (PubChem CID 145429533) has the molecular formula C10H9BrClN3O2 and a molecular weight of 318.56 g/mol. Its IUPAC name is ethyl 2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)acetate
PubChem CID145429533
Molecular FormulaC10H9BrClN3O2
Molecular Weight318.56 g/mol
Exact Mass316.96
IUPAC Nameethyl 2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)acetate
SMILESCCOC(=O)Cc1nc(Br)c2c(Cl)nccn12
InChIInChI=1S/C10H9BrClN3O2/c1-2-17-7(16)5-6-14-9(11)8-10(12)13-3-4-15(6)8/h3-4H,2,5H2,1H3
InChIKeyYGUSLOXWPILIBW-UHFFFAOYSA-N
XLogP2.25
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.56
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2-(4-chloro-2-methylpyrimidin-5-yl)acetate
CID 26604
ethyl 3-chloro-2-oxopyrazine-1-carboxylate
CID 66521756
ethyl 1-chloro-8-methylpyrrolo[1,2-a]pyrazine-7-carboxylate
CID 59788143
ethyl 2-(3-amino-2-bromo-4-pyridinyl)acetate
CID 133098459
ethyl 2-(5-bromo-2,4,6-trimethyl-3-pyridinyl)acetate
CID 126615435
ethyl 2-[2-chloro-4-(difluoromethyl)-3-pyridinyl]acetate
CID 133088379
ethyl 2-(4-bromo-5-chloro-2-pyridinyl)acetate
CID 133098224
ethyl 2-(5-chloro-1,3-thiazol-2-yl)acetate
CID 66223898
ethyl 2-(5-bromo-2-methyl-3-pyridinyl)acetate
CID 133098025
ethyl 2-[5-bromo-6-chloro-4-(difluoromethyl)-2-pyridinyl]acetate
CID 134675410
ethyl 2-(1-benzylsulfanylimidazo[1,5-a]pyridin-3-yl)acetate
CID 70169705
1-bromo-8-methyl-3-(oxan-4-yl)imidazo[1,5-a]pyrazine;ethyl acetate
CID 71074993

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)acetate?
The IUPAC name of ethyl 2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)acetate (CID 145429533) is ethyl 2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)acetate.
What is the SMILES notation for ethyl 2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)acetate?
The canonical SMILES for ethyl 2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)acetate is CCOC(=O)Cc1nc(Br)c2c(Cl)nccn12.
What is the InChIKey of ethyl 2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)acetate?
The InChIKey is YGUSLOXWPILIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClN3O2/c1-2-17-7(16)5-6-14-9(11)8-10(12)13-3-4-15(6)8/h3-4H,2,5H2,1H3.
What are the key properties of ethyl 2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)acetate?
ethyl 2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)acetate has a molecular weight of 318.56 g/mol, XLogP of 2.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1-bromo-8-chloroimidazo[1,5-a]pyrazin-3-yl)acetate is sourced from PubChem (CID 145429533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).