6-(3-bromophenyl)imidazo[1,2-a]pyrazine-2-carbonitrile

C13H7BrN4 — CID 146313542

IUPAC6-(3-bromophenyl)imidazo[1,2-a]pyrazine-2-carbonitrile
SMILESN#Cc1cn2cc(-c3cccc(Br)c3)ncc2n1
InChIInChI=1S/C13H7BrN4/c14-10-3-1-2-9(4-10)12-8-18-7-11(5-15)17-13(18)6-16-12/h1-4,6-8H
InChIKeyNOLVAZGJLMPDKS-UHFFFAOYSA-N
MW299.13 g/mol
LogP3.03
Rot. Bonds1

About 6-(3-bromophenyl)imidazo[1,2-a]pyrazine-2-carbonitrile

6-(3-bromophenyl)imidazo[1,2-a]pyrazine-2-carbonitrile (PubChem CID 146313542) has the molecular formula C13H7BrN4 and a molecular weight of 299.13 g/mol. Its IUPAC name is 6-(3-bromophenyl)imidazo[1,2-a]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name6-(3-bromophenyl)imidazo[1,2-a]pyrazine-2-carbonitrile
PubChem CID146313542
Molecular FormulaC13H7BrN4
Molecular Weight299.13 g/mol
Exact Mass297.99
IUPAC Name6-(3-bromophenyl)imidazo[1,2-a]pyrazine-2-carbonitrile
SMILESN#Cc1cn2cc(-c3cccc(Br)c3)ncc2n1
InChIInChI=1S/C13H7BrN4/c14-10-3-1-2-9(4-10)12-8-18-7-11(5-15)17-13(18)6-16-12/h1-4,6-8H
InChIKeyNOLVAZGJLMPDKS-UHFFFAOYSA-N
XLogP3.03
TPSA53.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)imidazo[1,2-a]pyrazine-2-carbonitrile?
The IUPAC name of 6-(3-bromophenyl)imidazo[1,2-a]pyrazine-2-carbonitrile (CID 146313542) is 6-(3-bromophenyl)imidazo[1,2-a]pyrazine-2-carbonitrile.
What is the SMILES notation for 6-(3-bromophenyl)imidazo[1,2-a]pyrazine-2-carbonitrile?
The canonical SMILES for 6-(3-bromophenyl)imidazo[1,2-a]pyrazine-2-carbonitrile is N#Cc1cn2cc(-c3cccc(Br)c3)ncc2n1.
What is the InChIKey of 6-(3-bromophenyl)imidazo[1,2-a]pyrazine-2-carbonitrile?
The InChIKey is NOLVAZGJLMPDKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrN4/c14-10-3-1-2-9(4-10)12-8-18-7-11(5-15)17-13(18)6-16-12/h1-4,6-8H.
What are the key properties of 6-(3-bromophenyl)imidazo[1,2-a]pyrazine-2-carbonitrile?
6-(3-bromophenyl)imidazo[1,2-a]pyrazine-2-carbonitrile has a molecular weight of 299.13 g/mol, XLogP of 3.03, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)imidazo[1,2-a]pyrazine-2-carbonitrile is sourced from PubChem (CID 146313542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).