2,4-dichloroquinoline-6-carbaldehyde

C10H5Cl2NO — CID 89405666

IUPAC2,4-dichloroquinoline-6-carbaldehyde
SMILESO=Cc1ccc2nc(Cl)cc(Cl)c2c1
InChIInChI=1S/C10H5Cl2NO/c11-8-4-10(12)13-9-2-1-6(5-14)3-7(8)9/h1-5H
InChIKeyVFLBGCIBHIHZAZ-UHFFFAOYSA-N
MW226.06 g/mol
LogP3.35
Rot. Bonds1

About 2,4-dichloroquinoline-6-carbaldehyde

2,4-dichloroquinoline-6-carbaldehyde (PubChem CID 89405666) has the molecular formula C10H5Cl2NO and a molecular weight of 226.06 g/mol. Its IUPAC name is 2,4-dichloroquinoline-6-carbaldehyde.

Molecular Properties

Compound Name2,4-dichloroquinoline-6-carbaldehyde
PubChem CID89405666
Molecular FormulaC10H5Cl2NO
Molecular Weight226.06 g/mol
Exact Mass224.97
IUPAC Name2,4-dichloroquinoline-6-carbaldehyde
SMILESO=Cc1ccc2nc(Cl)cc(Cl)c2c1
InChIInChI=1S/C10H5Cl2NO/c11-8-4-10(12)13-9-2-1-6(5-14)3-7(8)9/h1-5H
InChIKeyVFLBGCIBHIHZAZ-UHFFFAOYSA-N
XLogP3.35
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.06
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloroquinoline-6-carbaldehyde?
The IUPAC name of 2,4-dichloroquinoline-6-carbaldehyde (CID 89405666) is 2,4-dichloroquinoline-6-carbaldehyde.
What is the SMILES notation for 2,4-dichloroquinoline-6-carbaldehyde?
The canonical SMILES for 2,4-dichloroquinoline-6-carbaldehyde is O=Cc1ccc2nc(Cl)cc(Cl)c2c1.
What is the InChIKey of 2,4-dichloroquinoline-6-carbaldehyde?
The InChIKey is VFLBGCIBHIHZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2NO/c11-8-4-10(12)13-9-2-1-6(5-14)3-7(8)9/h1-5H.
What are the key properties of 2,4-dichloroquinoline-6-carbaldehyde?
2,4-dichloroquinoline-6-carbaldehyde has a molecular weight of 226.06 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloroquinoline-6-carbaldehyde is sourced from PubChem (CID 89405666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).