9-bromobenzo[h]isoquinoline-6-carbaldehyde

C14H8BrNO — CID 57455587

IUPAC9-bromobenzo[h]isoquinoline-6-carbaldehyde
SMILESO=Cc1cc2ccncc2c2cc(Br)ccc12
InChIInChI=1S/C14H8BrNO/c15-11-1-2-12-10(8-17)5-9-3-4-16-7-14(9)13(12)6-11/h1-8H
InChIKeyRKFTUZIIYZPFJB-UHFFFAOYSA-N
MW286.13 g/mol
LogP3.96
Rot. Bonds1

About 9-bromobenzo[h]isoquinoline-6-carbaldehyde

9-bromobenzo[h]isoquinoline-6-carbaldehyde (PubChem CID 57455587) has the molecular formula C14H8BrNO and a molecular weight of 286.13 g/mol. Its IUPAC name is 9-bromobenzo[h]isoquinoline-6-carbaldehyde.

Molecular Properties

Compound Name9-bromobenzo[h]isoquinoline-6-carbaldehyde
PubChem CID57455587
Molecular FormulaC14H8BrNO
Molecular Weight286.13 g/mol
Exact Mass284.98
IUPAC Name9-bromobenzo[h]isoquinoline-6-carbaldehyde
SMILESO=Cc1cc2ccncc2c2cc(Br)ccc12
InChIInChI=1S/C14H8BrNO/c15-11-1-2-12-10(8-17)5-9-3-4-16-7-14(9)13(12)6-11/h1-8H
InChIKeyRKFTUZIIYZPFJB-UHFFFAOYSA-N
XLogP3.96
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.13
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 9-bromobenzo[h]isoquinoline-6-carbaldehyde?
The IUPAC name of 9-bromobenzo[h]isoquinoline-6-carbaldehyde (CID 57455587) is 9-bromobenzo[h]isoquinoline-6-carbaldehyde.
What is the SMILES notation for 9-bromobenzo[h]isoquinoline-6-carbaldehyde?
The canonical SMILES for 9-bromobenzo[h]isoquinoline-6-carbaldehyde is O=Cc1cc2ccncc2c2cc(Br)ccc12.
What is the InChIKey of 9-bromobenzo[h]isoquinoline-6-carbaldehyde?
The InChIKey is RKFTUZIIYZPFJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrNO/c15-11-1-2-12-10(8-17)5-9-3-4-16-7-14(9)13(12)6-11/h1-8H.
What are the key properties of 9-bromobenzo[h]isoquinoline-6-carbaldehyde?
9-bromobenzo[h]isoquinoline-6-carbaldehyde has a molecular weight of 286.13 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromobenzo[h]isoquinoline-6-carbaldehyde is sourced from PubChem (CID 57455587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).