2-(3-bromo-4-fluorophenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid

C13H7BrFN3O2 — CID 63260016

IUPAC2-(3-bromo-4-fluorophenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid
SMILESO=C(O)c1nccn2cc(-c3ccc(F)c(Br)c3)nc12
InChIInChI=1S/C13H7BrFN3O2/c14-8-5-7(1-2-9(8)15)10-6-18-4-3-16-11(13(19)20)12(18)17-10/h1-6H,(H,19,20)
InChIKeyMTERWQQDILMALZ-UHFFFAOYSA-N
MW336.12 g/mol
LogP3.00
Rot. Bonds2

About 2-(3-bromo-4-fluorophenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid

2-(3-bromo-4-fluorophenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid (PubChem CID 63260016) has the molecular formula C13H7BrFN3O2 and a molecular weight of 336.12 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid
PubChem CID63260016
Molecular FormulaC13H7BrFN3O2
Molecular Weight336.12 g/mol
Exact Mass334.97
IUPAC Name2-(3-bromo-4-fluorophenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid
SMILESO=C(O)c1nccn2cc(-c3ccc(F)c(Br)c3)nc12
InChIInChI=1S/C13H7BrFN3O2/c14-8-5-7(1-2-9(8)15)10-6-18-4-3-16-11(13(19)20)12(18)17-10/h1-6H,(H,19,20)
InChIKeyMTERWQQDILMALZ-UHFFFAOYSA-N
XLogP3.00
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.12
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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CID 12763979
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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid (CID 63260016) is 2-(3-bromo-4-fluorophenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid is O=C(O)c1nccn2cc(-c3ccc(F)c(Br)c3)nc12.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid?
The InChIKey is MTERWQQDILMALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrFN3O2/c14-8-5-7(1-2-9(8)15)10-6-18-4-3-16-11(13(19)20)12(18)17-10/h1-6H,(H,19,20).
What are the key properties of 2-(3-bromo-4-fluorophenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid?
2-(3-bromo-4-fluorophenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid has a molecular weight of 336.12 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)imidazo[1,2-a]pyrazine-8-carboxylic acid is sourced from PubChem (CID 63260016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).