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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Related Compounds

4-(3-bromophenyl)-1-methylimidazole
CID 54081748
6-propan-2-ylimidazo[1,2-a]pyrazine-2-carbonitrile
CID 90346979
2-(3-bromophenyl)imidazo[1,2-a]pyrimidine
CID 14913301
2-(3-bromophenyl)imidazo[1,2-a]pyridine;ethane
CID 123472664
4-(3-bromophenyl)-6-methylpyrimidine-2-carbonitrile
CID 116894958
2-(3-bromophenyl)-7-chloroimidazo[1,2-a]pyridine
CID 117128097
4,6-bis(3-bromophenyl)-2-phenylpyrimidine
CID 71270022
2-[4-(3-bromophenyl)-6-phenylpyrimidin-2-yl]-4,6-diphenylpyrimidine
CID 154704995
6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyrazine
CID 86660860
6-aminoimidazo[1,2-a]pyridine-2-carbonitrile
CID 82057718
3-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]benzonitrile
CID 122476393
3-(3-bromophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonitrile
CID 105392633

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).