5,8-dichloroquinoline-2-carbaldehyde

C10H5Cl2NO — CID 82242447

IUPAC5,8-dichloroquinoline-2-carbaldehyde
SMILESO=Cc1ccc2c(Cl)ccc(Cl)c2n1
InChIInChI=1S/C10H5Cl2NO/c11-8-3-4-9(12)10-7(8)2-1-6(5-14)13-10/h1-5H
InChIKeyJRYNPXHJCRSCQE-UHFFFAOYSA-N
MW226.06 g/mol
LogP3.35
Rot. Bonds1

About 5,8-dichloroquinoline-2-carbaldehyde

5,8-dichloroquinoline-2-carbaldehyde (PubChem CID 82242447) has the molecular formula C10H5Cl2NO and a molecular weight of 226.06 g/mol. Its IUPAC name is 5,8-dichloroquinoline-2-carbaldehyde.

Molecular Properties

Compound Name5,8-dichloroquinoline-2-carbaldehyde
PubChem CID82242447
Molecular FormulaC10H5Cl2NO
Molecular Weight226.06 g/mol
Exact Mass224.97
IUPAC Name5,8-dichloroquinoline-2-carbaldehyde
SMILESO=Cc1ccc2c(Cl)ccc(Cl)c2n1
InChIInChI=1S/C10H5Cl2NO/c11-8-3-4-9(12)10-7(8)2-1-6(5-14)13-10/h1-5H
InChIKeyJRYNPXHJCRSCQE-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': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,8-dichloroquinoline-2-carbaldehyde?
The IUPAC name of 5,8-dichloroquinoline-2-carbaldehyde (CID 82242447) is 5,8-dichloroquinoline-2-carbaldehyde.
What is the SMILES notation for 5,8-dichloroquinoline-2-carbaldehyde?
The canonical SMILES for 5,8-dichloroquinoline-2-carbaldehyde is O=Cc1ccc2c(Cl)ccc(Cl)c2n1.
What is the InChIKey of 5,8-dichloroquinoline-2-carbaldehyde?
The InChIKey is JRYNPXHJCRSCQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl2NO/c11-8-3-4-9(12)10-7(8)2-1-6(5-14)13-10/h1-5H.
What are the key properties of 5,8-dichloroquinoline-2-carbaldehyde?
5,8-dichloroquinoline-2-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 5,8-dichloroquinoline-2-carbaldehyde is sourced from PubChem (CID 82242447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).