8-bromopyrazino[1,2-a]indole-10-carbaldehyde

C12H7BrN2O — CID 82378860

IUPAC8-bromopyrazino[1,2-a]indole-10-carbaldehyde
SMILESO=Cc1c2cc(Br)ccc2n2ccncc12
InChIInChI=1S/C12H7BrN2O/c13-8-1-2-11-9(5-8)10(7-16)12-6-14-3-4-15(11)12/h1-7H
InChIKeyQAWBSBYRIJNPTD-UHFFFAOYSA-N
MW275.11 g/mol
LogP3.06
Rot. Bonds1

About 8-bromopyrazino[1,2-a]indole-10-carbaldehyde

8-bromopyrazino[1,2-a]indole-10-carbaldehyde (PubChem CID 82378860) has the molecular formula C12H7BrN2O and a molecular weight of 275.11 g/mol. Its IUPAC name is 8-bromopyrazino[1,2-a]indole-10-carbaldehyde.

Molecular Properties

Compound Name8-bromopyrazino[1,2-a]indole-10-carbaldehyde
PubChem CID82378860
Molecular FormulaC12H7BrN2O
Molecular Weight275.11 g/mol
Exact Mass273.97
IUPAC Name8-bromopyrazino[1,2-a]indole-10-carbaldehyde
SMILESO=Cc1c2cc(Br)ccc2n2ccncc12
InChIInChI=1S/C12H7BrN2O/c13-8-1-2-11-9(5-8)10(7-16)12-6-14-3-4-15(11)12/h1-7H
InChIKeyQAWBSBYRIJNPTD-UHFFFAOYSA-N
XLogP3.06
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.11
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-5-methylimidazo[1,2-a]quinoline-2-carbaldehyde
CID 115052525
11-bromo-7-tert-butylimidazo[1,2-f]phenanthridine
CID 154610318
5-bromo-2-pyrrolo[2,3-c]pyridin-1-ylpyridine-4-carbaldehyde
CID 118576983
4-benzyl-7-bromoimidazo[1,2-a]quinazolin-5-one
CID 142161387
2-chloro-1-methylpyrrolo[2,3-c]pyridine-3-carbaldehyde
CID 123253047
5-bromo-1-(2-bromophenyl)sulfonylindole-3-carbaldehyde
CID 87180207
8-bromo-[1]benzoxepino[2,3-c]pyridine-5,6-dione
CID 70168584
6-bromo-9-[5-(6-bromopyrido[3,4-b]indol-9-yl)pentyl]-1-methylpyrido[3,4-b]indole
CID 71539375
7-bromoimidazo[1,5-a]pyridine-3-carbaldehyde
CID 83839573
2-(5-bromo-3-methylindazol-1-yl)acetaldehyde
CID 83843834
11-bromo-7-(2,4,6-trimethylphenyl)imidazo[1,2-f]phenanthridine
CID 154611098
6-bromo-1-methylindazole-3-carbaldehyde
CID 83912445

Frequently Asked Questions

What is the IUPAC name of 8-bromopyrazino[1,2-a]indole-10-carbaldehyde?
The IUPAC name of 8-bromopyrazino[1,2-a]indole-10-carbaldehyde (CID 82378860) is 8-bromopyrazino[1,2-a]indole-10-carbaldehyde.
What is the SMILES notation for 8-bromopyrazino[1,2-a]indole-10-carbaldehyde?
The canonical SMILES for 8-bromopyrazino[1,2-a]indole-10-carbaldehyde is O=Cc1c2cc(Br)ccc2n2ccncc12.
What is the InChIKey of 8-bromopyrazino[1,2-a]indole-10-carbaldehyde?
The InChIKey is QAWBSBYRIJNPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrN2O/c13-8-1-2-11-9(5-8)10(7-16)12-6-14-3-4-15(11)12/h1-7H.
What are the key properties of 8-bromopyrazino[1,2-a]indole-10-carbaldehyde?
8-bromopyrazino[1,2-a]indole-10-carbaldehyde has a molecular weight of 275.11 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromopyrazino[1,2-a]indole-10-carbaldehyde is sourced from PubChem (CID 82378860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).