6-bromoquinoline-2-carbaldehyde

C10H6BrNO — CID 18373140

IUPAC6-bromoquinoline-2-carbaldehyde
SMILESO=Cc1ccc2cc(Br)ccc2n1
InChIInChI=1S/C10H6BrNO/c11-8-2-4-10-7(5-8)1-3-9(6-13)12-10/h1-6H
InChIKeyVQOCWJMSBFLQKK-UHFFFAOYSA-N
MW236.07 g/mol
LogP2.81
Rot. Bonds1

About 6-bromoquinoline-2-carbaldehyde

6-bromoquinoline-2-carbaldehyde (PubChem CID 18373140) has the molecular formula C10H6BrNO and a molecular weight of 236.07 g/mol. Its IUPAC name is 6-bromoquinoline-2-carbaldehyde.

Molecular Properties

Compound Name6-bromoquinoline-2-carbaldehyde
PubChem CID18373140
Molecular FormulaC10H6BrNO
Molecular Weight236.07 g/mol
Exact Mass234.96
IUPAC Name6-bromoquinoline-2-carbaldehyde
SMILESO=Cc1ccc2cc(Br)ccc2n1
InChIInChI=1S/C10H6BrNO/c11-8-2-4-10-7(5-8)1-3-9(6-13)12-10/h1-6H
InChIKeyVQOCWJMSBFLQKK-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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Related Compounds

2-Quinolinecarboxaldehyde
CID 79619
6-Bromo-2-phenylquinoline-4-carboxamide
CID 2803005
1-(6-Bromo-2-methyl-4-phenylquinolin-3-yl)ethanone
CID 679741
6-Bromo-2-methylquinoline-4-carbohydrazide
CID 694035
1-(Quinolin-2-yl)ethan-1-one
CID 318703
6-Fluoroquinoline-2-carbaldehyde
CID 3159605
(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-quinolin-2-ylmethanone
CID 44527941
4-(4-Bromophenyl)-2-quinolinecarboxamide
CID 71566349
4-(2-Bromophenyl)-2-quinolinecarboxamide
CID 89554955
6-Bromo-2-chloroquinoline-3-carboxaldehyde
CID 11437167
4-Methylquinoline-2-carbaldehyde
CID 12735795
2-Methylquinoline-4-carbaldehyde
CID 13566834

Frequently Asked Questions

What is the IUPAC name of 6-bromoquinoline-2-carbaldehyde?
The IUPAC name of 6-bromoquinoline-2-carbaldehyde (CID 18373140) is 6-bromoquinoline-2-carbaldehyde.
What is the SMILES notation for 6-bromoquinoline-2-carbaldehyde?
The canonical SMILES for 6-bromoquinoline-2-carbaldehyde is O=Cc1ccc2cc(Br)ccc2n1.
What is the InChIKey of 6-bromoquinoline-2-carbaldehyde?
The InChIKey is VQOCWJMSBFLQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6BrNO/c11-8-2-4-10-7(5-8)1-3-9(6-13)12-10/h1-6H.
What are the key properties of 6-bromoquinoline-2-carbaldehyde?
6-bromoquinoline-2-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 6-bromoquinoline-2-carbaldehyde is sourced from PubChem (CID 18373140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).