2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)acetic acid

C8H6BrN3O2 — CID 84708657

IUPAC2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)acetic acid
SMILESO=C(O)Cc1cnc2cnc(Br)cn12
InChIInChI=1S/C8H6BrN3O2/c9-6-4-12-5(1-8(13)14)2-11-7(12)3-10-6/h2-4H,1H2,(H,13,14)
InChIKeyCUEYBMUFXHFYBY-UHFFFAOYSA-N
MW256.06 g/mol
LogP1.12
Rot. Bonds2

About 2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)acetic acid

2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)acetic acid (PubChem CID 84708657) has the molecular formula C8H6BrN3O2 and a molecular weight of 256.06 g/mol. Its IUPAC name is 2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)acetic acid
PubChem CID84708657
Molecular FormulaC8H6BrN3O2
Molecular Weight256.06 g/mol
Exact Mass254.96
IUPAC Name2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)acetic acid
SMILESO=C(O)Cc1cnc2cnc(Br)cn12
InChIInChI=1S/C8H6BrN3O2/c9-6-4-12-5(1-8(13)14)2-11-7(12)3-10-6/h2-4H,1H2,(H,13,14)
InChIKeyCUEYBMUFXHFYBY-UHFFFAOYSA-N
XLogP1.12
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.06
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)acetic acid?
The IUPAC name of 2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)acetic acid (CID 84708657) is 2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)acetic acid.
What is the SMILES notation for 2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)acetic acid?
The canonical SMILES for 2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)acetic acid is O=C(O)Cc1cnc2cnc(Br)cn12.
What is the InChIKey of 2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)acetic acid?
The InChIKey is CUEYBMUFXHFYBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O2/c9-6-4-12-5(1-8(13)14)2-11-7(12)3-10-6/h2-4H,1H2,(H,13,14).
What are the key properties of 2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)acetic acid?
2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)acetic acid has a molecular weight of 256.06 g/mol, XLogP of 1.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-bromoimidazo[1,2-a]pyrazin-3-yl)acetic acid is sourced from PubChem (CID 84708657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).