2-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid

C13H6Cl2FN3O2 — CID 63259886

IUPAC2-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid
SMILESO=C(O)c1nccn2cc(-c3cc(F)c(Cl)cc3Cl)nc12
InChIInChI=1S/C13H6Cl2FN3O2/c14-7-4-8(15)9(16)3-6(7)10-5-19-2-1-17-11(13(20)21)12(19)18-10/h1-5H,(H,20,21)
InChIKeyQXRRXUPVHYSHNF-UHFFFAOYSA-N
MW326.11 g/mol
LogP3.54
Rot. Bonds2

About 2-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid

2-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid (PubChem CID 63259886) has the molecular formula C13H6Cl2FN3O2 and a molecular weight of 326.11 g/mol. Its IUPAC name is 2-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid
PubChem CID63259886
Molecular FormulaC13H6Cl2FN3O2
Molecular Weight326.11 g/mol
Exact Mass324.98
IUPAC Name2-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid
SMILESO=C(O)c1nccn2cc(-c3cc(F)c(Cl)cc3Cl)nc12
InChIInChI=1S/C13H6Cl2FN3O2/c14-7-4-8(15)9(16)3-6(7)10-5-19-2-1-17-11(13(20)21)12(19)18-10/h1-5H,(H,20,21)
InChIKeyQXRRXUPVHYSHNF-UHFFFAOYSA-N
XLogP3.54
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.11
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid?
The IUPAC name of 2-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid (CID 63259886) is 2-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid.
What is the SMILES notation for 2-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid?
The canonical SMILES for 2-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid is O=C(O)c1nccn2cc(-c3cc(F)c(Cl)cc3Cl)nc12.
What is the InChIKey of 2-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid?
The InChIKey is QXRRXUPVHYSHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2FN3O2/c14-7-4-8(15)9(16)3-6(7)10-5-19-2-1-17-11(13(20)21)12(19)18-10/h1-5H,(H,20,21).
What are the key properties of 2-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid?
2-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid has a molecular weight of 326.11 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-5-fluorophenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid is sourced from PubChem (CID 63259886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).