2-(3-bromoimidazo[1,2-a]pyrazin-8-yl)acetic acid

C8H6BrN3O2 — CID 84708658

IUPAC2-(3-bromoimidazo[1,2-a]pyrazin-8-yl)acetic acid
SMILESO=C(O)Cc1nccn2c(Br)cnc12
InChIInChI=1S/C8H6BrN3O2/c9-6-4-11-8-5(3-7(13)14)10-1-2-12(6)8/h1-2,4H,3H2,(H,13,14)
InChIKeyPAQRRBDHDWETLE-UHFFFAOYSA-N
MW256.06 g/mol
LogP1.12
Rot. Bonds2

About 2-(3-bromoimidazo[1,2-a]pyrazin-8-yl)acetic acid

2-(3-bromoimidazo[1,2-a]pyrazin-8-yl)acetic acid (PubChem CID 84708658) has the molecular formula C8H6BrN3O2 and a molecular weight of 256.06 g/mol. Its IUPAC name is 2-(3-bromoimidazo[1,2-a]pyrazin-8-yl)acetic acid.

Molecular Properties

Compound Name2-(3-bromoimidazo[1,2-a]pyrazin-8-yl)acetic acid
PubChem CID84708658
Molecular FormulaC8H6BrN3O2
Molecular Weight256.06 g/mol
Exact Mass254.96
IUPAC Name2-(3-bromoimidazo[1,2-a]pyrazin-8-yl)acetic acid
SMILESO=C(O)Cc1nccn2c(Br)cnc12
InChIInChI=1S/C8H6BrN3O2/c9-6-4-11-8-5(3-7(13)14)10-1-2-12(6)8/h1-2,4H,3H2,(H,13,14)
InChIKeyPAQRRBDHDWETLE-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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Related Compounds

3-bromo-8-ethoxyimidazo[1,2-a]pyrazine
CID 10060274
4-(5-bromoimidazo[1,2-a]pyrazin-8-yl)piperazine-1-carboxylic acid
CID 87383524
3-amino-1-(3-bromoimidazo[1,2-a]pyrazin-8-yl)propan-1-ol
CID 84712888
3-bromo-N-propan-2-ylimidazo[1,2-a]pyrazin-8-amine
CID 21070914
(3-bromo-8-fluoroimidazo[1,2-a]pyridin-7-yl)methanol
CID 130065270
2-(3-amino-4-bromo-2-pyridinyl)acetic acid
CID 131117087
2-amino-2-(3-bromoimidazo[1,2-a]pyridin-8-yl)acetic acid
CID 83844833
2-(5,7-dimethylimidazo[1,2-a]imidazol-6-yl)acetic acid
CID 82402215
N-(3-bromoimidazo[1,2-a]pyridin-8-yl)acetamide
CID 46838754
(3-bromoimidazo[1,2-a]pyridin-8-yl)methanamine
CID 82618151
2-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)acetic acid
CID 104734412
5-bromo-N-phenylimidazo[1,2-a]pyrazin-8-amine
CID 87086919

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromoimidazo[1,2-a]pyrazin-8-yl)acetic acid?
The IUPAC name of 2-(3-bromoimidazo[1,2-a]pyrazin-8-yl)acetic acid (CID 84708658) is 2-(3-bromoimidazo[1,2-a]pyrazin-8-yl)acetic acid.
What is the SMILES notation for 2-(3-bromoimidazo[1,2-a]pyrazin-8-yl)acetic acid?
The canonical SMILES for 2-(3-bromoimidazo[1,2-a]pyrazin-8-yl)acetic acid is O=C(O)Cc1nccn2c(Br)cnc12.
What is the InChIKey of 2-(3-bromoimidazo[1,2-a]pyrazin-8-yl)acetic acid?
The InChIKey is PAQRRBDHDWETLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrN3O2/c9-6-4-11-8-5(3-7(13)14)10-1-2-12(6)8/h1-2,4H,3H2,(H,13,14).
What are the key properties of 2-(3-bromoimidazo[1,2-a]pyrazin-8-yl)acetic acid?
2-(3-bromoimidazo[1,2-a]pyrazin-8-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-(3-bromoimidazo[1,2-a]pyrazin-8-yl)acetic acid is sourced from PubChem (CID 84708658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).