6-bromo-2-(4-chloro-2-fluoro-5-methylphenyl)imidazo[1,2-a]pyrazine

C13H8BrClFN3 — CID 86660867

IUPAC6-bromo-2-(4-chloro-2-fluoro-5-methylphenyl)imidazo[1,2-a]pyrazine
SMILESCc1cc(-c2cn3cc(Br)ncc3n2)c(F)cc1Cl
InChIInChI=1S/C13H8BrClFN3/c1-7-2-8(10(16)3-9(7)15)11-5-19-6-12(14)17-4-13(19)18-11/h2-6H,1H3
InChIKeyJHRDSRHIIUKSJA-UHFFFAOYSA-N
MW340.58 g/mol
LogP4.26
Rot. Bonds1

About 6-bromo-2-(4-chloro-2-fluoro-5-methylphenyl)imidazo[1,2-a]pyrazine

6-bromo-2-(4-chloro-2-fluoro-5-methylphenyl)imidazo[1,2-a]pyrazine (PubChem CID 86660867) has the molecular formula C13H8BrClFN3 and a molecular weight of 340.58 g/mol. Its IUPAC name is 6-bromo-2-(4-chloro-2-fluoro-5-methylphenyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-bromo-2-(4-chloro-2-fluoro-5-methylphenyl)imidazo[1,2-a]pyrazine
PubChem CID86660867
Molecular FormulaC13H8BrClFN3
Molecular Weight340.58 g/mol
Exact Mass338.96
IUPAC Name6-bromo-2-(4-chloro-2-fluoro-5-methylphenyl)imidazo[1,2-a]pyrazine
SMILESCc1cc(-c2cn3cc(Br)ncc3n2)c(F)cc1Cl
InChIInChI=1S/C13H8BrClFN3/c1-7-2-8(10(16)3-9(7)15)11-5-19-6-12(14)17-4-13(19)18-11/h2-6H,1H3
InChIKeyJHRDSRHIIUKSJA-UHFFFAOYSA-N
XLogP4.26
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.58
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4-chloro-2-fluoro-5-methylphenyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 6-bromo-2-(4-chloro-2-fluoro-5-methylphenyl)imidazo[1,2-a]pyrazine (CID 86660867) is 6-bromo-2-(4-chloro-2-fluoro-5-methylphenyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-bromo-2-(4-chloro-2-fluoro-5-methylphenyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-bromo-2-(4-chloro-2-fluoro-5-methylphenyl)imidazo[1,2-a]pyrazine is Cc1cc(-c2cn3cc(Br)ncc3n2)c(F)cc1Cl.
What is the InChIKey of 6-bromo-2-(4-chloro-2-fluoro-5-methylphenyl)imidazo[1,2-a]pyrazine?
The InChIKey is JHRDSRHIIUKSJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClFN3/c1-7-2-8(10(16)3-9(7)15)11-5-19-6-12(14)17-4-13(19)18-11/h2-6H,1H3.
What are the key properties of 6-bromo-2-(4-chloro-2-fluoro-5-methylphenyl)imidazo[1,2-a]pyrazine?
6-bromo-2-(4-chloro-2-fluoro-5-methylphenyl)imidazo[1,2-a]pyrazine has a molecular weight of 340.58 g/mol, XLogP of 4.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4-chloro-2-fluoro-5-methylphenyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 86660867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).