2,3,4,6,8-pentachloroquinoline

C9H2Cl5N — CID 97181861

IUPAC2,3,4,6,8-pentachloroquinoline
SMILESClc1cc(Cl)c2nc(Cl)c(Cl)c(Cl)c2c1
InChIInChI=1S/C9H2Cl5N/c10-3-1-4-6(12)7(13)9(14)15-8(4)5(11)2-3/h1-2H
InChIKeyBZHHWLFRGMOHFU-UHFFFAOYSA-N
MW301.39 g/mol
LogP5.50
Rot. Bonds

About 2,3,4,6,8-pentachloroquinoline

2,3,4,6,8-pentachloroquinoline (PubChem CID 97181861) has the molecular formula C9H2Cl5N and a molecular weight of 301.39 g/mol. Its IUPAC name is 2,3,4,6,8-pentachloroquinoline.

Molecular Properties

Compound Name2,3,4,6,8-pentachloroquinoline
PubChem CID97181861
Molecular FormulaC9H2Cl5N
Molecular Weight301.39 g/mol
Exact Mass298.86
IUPAC Name2,3,4,6,8-pentachloroquinoline
SMILESClc1cc(Cl)c2nc(Cl)c(Cl)c(Cl)c2c1
InChIInChI=1S/C9H2Cl5N/c10-3-1-4-6(12)7(13)9(14)15-8(4)5(11)2-3/h1-2H
InChIKeyBZHHWLFRGMOHFU-UHFFFAOYSA-N
XLogP5.50
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500301.39
LogP ≤ 55.50
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 2,3,4,6,8-pentachloroquinoline?
The IUPAC name of 2,3,4,6,8-pentachloroquinoline (CID 97181861) is 2,3,4,6,8-pentachloroquinoline.
What is the SMILES notation for 2,3,4,6,8-pentachloroquinoline?
The canonical SMILES for 2,3,4,6,8-pentachloroquinoline is Clc1cc(Cl)c2nc(Cl)c(Cl)c(Cl)c2c1.
What is the InChIKey of 2,3,4,6,8-pentachloroquinoline?
The InChIKey is BZHHWLFRGMOHFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2Cl5N/c10-3-1-4-6(12)7(13)9(14)15-8(4)5(11)2-3/h1-2H.
What are the key properties of 2,3,4,6,8-pentachloroquinoline?
2,3,4,6,8-pentachloroquinoline has a molecular weight of 301.39 g/mol, XLogP of 5.50, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,6,8-pentachloroquinoline is sourced from PubChem (CID 97181861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).