2,8-dichloroquinoline

C9H5Cl2N — CID 676553

IUPAC2,8-dichloroquinoline
SMILESClc1ccc2cccc(Cl)c2n1
InChIInChI=1S/C9H5Cl2N/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5H
InChIKeyVAXOCTXTVIVOQE-UHFFFAOYSA-N
MW198.05 g/mol
LogP3.54
Rot. Bonds

About 2,8-dichloroquinoline

2,8-dichloroquinoline (PubChem CID 676553) has the molecular formula C9H5Cl2N and a molecular weight of 198.05 g/mol. Its IUPAC name is 2,8-dichloroquinoline.

Molecular Properties

Compound Name2,8-dichloroquinoline
PubChem CID676553
Molecular FormulaC9H5Cl2N
Molecular Weight198.05 g/mol
Exact Mass196.98
IUPAC Name2,8-dichloroquinoline
SMILESClc1ccc2cccc(Cl)c2n1
InChIInChI=1S/C9H5Cl2N/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5H
InChIKeyVAXOCTXTVIVOQE-UHFFFAOYSA-N
XLogP3.54
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.05
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,8-dichloroquinoline?
The IUPAC name of 2,8-dichloroquinoline (CID 676553) is 2,8-dichloroquinoline.
What is the SMILES notation for 2,8-dichloroquinoline?
The canonical SMILES for 2,8-dichloroquinoline is Clc1ccc2cccc(Cl)c2n1.
What is the InChIKey of 2,8-dichloroquinoline?
The InChIKey is VAXOCTXTVIVOQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2N/c10-7-3-1-2-6-4-5-8(11)12-9(6)7/h1-5H.
What are the key properties of 2,8-dichloroquinoline?
2,8-dichloroquinoline has a molecular weight of 198.05 g/mol, XLogP of 3.54, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-dichloroquinoline is sourced from PubChem (CID 676553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).