8-bromoquinoline-4-carbaldehyde

C10H6BrNO — CID 46835719

IUPAC8-bromoquinoline-4-carbaldehyde
SMILESO=Cc1ccnc2c(Br)cccc12
InChIInChI=1S/C10H6BrNO/c11-9-3-1-2-8-7(6-13)4-5-12-10(8)9/h1-6H
InChIKeyJRKLRIAIMIKGHT-UHFFFAOYSA-N
MW236.07 g/mol
LogP2.81
Rot. Bonds1

About 8-bromoquinoline-4-carbaldehyde

8-bromoquinoline-4-carbaldehyde (PubChem CID 46835719) has the molecular formula C10H6BrNO and a molecular weight of 236.07 g/mol. Its IUPAC name is 8-bromoquinoline-4-carbaldehyde.

Molecular Properties

Compound Name8-bromoquinoline-4-carbaldehyde
PubChem CID46835719
Molecular FormulaC10H6BrNO
Molecular Weight236.07 g/mol
Exact Mass234.96
IUPAC Name8-bromoquinoline-4-carbaldehyde
SMILESO=Cc1ccnc2c(Br)cccc12
InChIInChI=1S/C10H6BrNO/c11-9-3-1-2-8-7(6-13)4-5-12-10(8)9/h1-6H
InChIKeyJRKLRIAIMIKGHT-UHFFFAOYSA-N
XLogP2.81
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.07
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-bromoquinoline-4-carbaldehyde?
The IUPAC name of 8-bromoquinoline-4-carbaldehyde (CID 46835719) is 8-bromoquinoline-4-carbaldehyde.
What is the SMILES notation for 8-bromoquinoline-4-carbaldehyde?
The canonical SMILES for 8-bromoquinoline-4-carbaldehyde is O=Cc1ccnc2c(Br)cccc12.
What is the InChIKey of 8-bromoquinoline-4-carbaldehyde?
The InChIKey is JRKLRIAIMIKGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO/c11-9-3-1-2-8-7(6-13)4-5-12-10(8)9/h1-6H.
What are the key properties of 8-bromoquinoline-4-carbaldehyde?
8-bromoquinoline-4-carbaldehyde has a molecular weight of 236.07 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromoquinoline-4-carbaldehyde is sourced from PubChem (CID 46835719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).