8-bromoimidazo[1,5-a]pyrazine-1-carbaldehyde

C7H4BrN3O — CID 76849777

IUPAC8-bromoimidazo[1,5-a]pyrazine-1-carbaldehyde
SMILESO=Cc1ncn2ccnc(Br)c12
InChIInChI=1S/C7H4BrN3O/c8-7-6-5(3-12)10-4-11(6)2-1-9-7/h1-4H
InChIKeyMPXFHDORFPQEMY-UHFFFAOYSA-N
MW226.03 g/mol
LogP1.30
Rot. Bonds1

About 8-bromoimidazo[1,5-a]pyrazine-1-carbaldehyde

8-bromoimidazo[1,5-a]pyrazine-1-carbaldehyde (PubChem CID 76849777) has the molecular formula C7H4BrN3O and a molecular weight of 226.03 g/mol. Its IUPAC name is 8-bromoimidazo[1,5-a]pyrazine-1-carbaldehyde.

Molecular Properties

Compound Name8-bromoimidazo[1,5-a]pyrazine-1-carbaldehyde
PubChem CID76849777
Molecular FormulaC7H4BrN3O
Molecular Weight226.03 g/mol
Exact Mass224.95
IUPAC Name8-bromoimidazo[1,5-a]pyrazine-1-carbaldehyde
SMILESO=Cc1ncn2ccnc(Br)c12
InChIInChI=1S/C7H4BrN3O/c8-7-6-5(3-12)10-4-11(6)2-1-9-7/h1-4H
InChIKeyMPXFHDORFPQEMY-UHFFFAOYSA-N
XLogP1.30
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.03
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-formylimidazo[1,5-a]pyridine-8-carboxylate
CID 83832388
5-bromo-1-methylimidazole-4-carbaldehyde
CID 12742278
7-aminoimidazo[1,2-c]pyrimidine-8-carbaldehyde
CID 145057079
1-bromoimidazo[1,5-a]pyridin-8-ol
CID 117252438
2-methylimidazo[1,2-a]pyrazine-8-carbaldehyde
CID 84651184
7-chloroimidazo[1,5-a]pyridine-1-carbaldehyde
CID 139488260
1-bromoimidazo[1,5-a]pyridin-8-amine
CID 83835188
1-bromoimidazole-2-carbaldehyde
CID 174800704
imidazo[1,5-b][1,2,4]triazine-8-carbaldehyde
CID 105429148
8-bromo-7-chloroimidazo[1,2-c]pyrimidine
CID 172622100
2,4,5-tribromopyridine-3-carbaldehyde
CID 169113247
2-imidazo[2,1-b][1,3]thiazol-2-ylacetaldehyde
CID 83873482

Frequently Asked Questions

What is the IUPAC name of 8-bromoimidazo[1,5-a]pyrazine-1-carbaldehyde?
The IUPAC name of 8-bromoimidazo[1,5-a]pyrazine-1-carbaldehyde (CID 76849777) is 8-bromoimidazo[1,5-a]pyrazine-1-carbaldehyde.
What is the SMILES notation for 8-bromoimidazo[1,5-a]pyrazine-1-carbaldehyde?
The canonical SMILES for 8-bromoimidazo[1,5-a]pyrazine-1-carbaldehyde is O=Cc1ncn2ccnc(Br)c12.
What is the InChIKey of 8-bromoimidazo[1,5-a]pyrazine-1-carbaldehyde?
The InChIKey is MPXFHDORFPQEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrN3O/c8-7-6-5(3-12)10-4-11(6)2-1-9-7/h1-4H.
What are the key properties of 8-bromoimidazo[1,5-a]pyrazine-1-carbaldehyde?
8-bromoimidazo[1,5-a]pyrazine-1-carbaldehyde has a molecular weight of 226.03 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromoimidazo[1,5-a]pyrazine-1-carbaldehyde is sourced from PubChem (CID 76849777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).