3-(6-chloroimidazo[1,2-a]pyrazin-2-yl)propanoic acid

C9H8ClN3O2 — CID 84690094

IUPAC3-(6-chloroimidazo[1,2-a]pyrazin-2-yl)propanoic acid
SMILESO=C(O)CCc1cn2cc(Cl)ncc2n1
InChIInChI=1S/C9H8ClN3O2/c10-7-5-13-4-6(1-2-9(14)15)12-8(13)3-11-7/h3-5H,1-2H2,(H,14,15)
InChIKeyBQIBNWSGOYSIRG-UHFFFAOYSA-N
MW225.64 g/mol
LogP1.40
Rot. Bonds3

About 3-(6-chloroimidazo[1,2-a]pyrazin-2-yl)propanoic acid

3-(6-chloroimidazo[1,2-a]pyrazin-2-yl)propanoic acid (PubChem CID 84690094) has the molecular formula C9H8ClN3O2 and a molecular weight of 225.64 g/mol. Its IUPAC name is 3-(6-chloroimidazo[1,2-a]pyrazin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(6-chloroimidazo[1,2-a]pyrazin-2-yl)propanoic acid
PubChem CID84690094
Molecular FormulaC9H8ClN3O2
Molecular Weight225.64 g/mol
Exact Mass225.03
IUPAC Name3-(6-chloroimidazo[1,2-a]pyrazin-2-yl)propanoic acid
SMILESO=C(O)CCc1cn2cc(Cl)ncc2n1
InChIInChI=1S/C9H8ClN3O2/c10-7-5-13-4-6(1-2-9(14)15)12-8(13)3-11-7/h3-5H,1-2H2,(H,14,15)
InChIKeyBQIBNWSGOYSIRG-UHFFFAOYSA-N
XLogP1.40
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.64
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(6-chloroimidazo[1,2-a]pyrazin-2-yl)propanoic acid?
The IUPAC name of 3-(6-chloroimidazo[1,2-a]pyrazin-2-yl)propanoic acid (CID 84690094) is 3-(6-chloroimidazo[1,2-a]pyrazin-2-yl)propanoic acid.
What is the SMILES notation for 3-(6-chloroimidazo[1,2-a]pyrazin-2-yl)propanoic acid?
The canonical SMILES for 3-(6-chloroimidazo[1,2-a]pyrazin-2-yl)propanoic acid is O=C(O)CCc1cn2cc(Cl)ncc2n1.
What is the InChIKey of 3-(6-chloroimidazo[1,2-a]pyrazin-2-yl)propanoic acid?
The InChIKey is BQIBNWSGOYSIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3O2/c10-7-5-13-4-6(1-2-9(14)15)12-8(13)3-11-7/h3-5H,1-2H2,(H,14,15).
What are the key properties of 3-(6-chloroimidazo[1,2-a]pyrazin-2-yl)propanoic acid?
3-(6-chloroimidazo[1,2-a]pyrazin-2-yl)propanoic acid has a molecular weight of 225.64 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloroimidazo[1,2-a]pyrazin-2-yl)propanoic acid is sourced from PubChem (CID 84690094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).