2,6-dichloroquinoline-5-carbonyl chloride

C10H4Cl3NO — CID 131843681

IUPAC2,6-dichloroquinoline-5-carbonyl chloride
SMILESO=C(Cl)c1c(Cl)ccc2nc(Cl)ccc12
InChIInChI=1S/C10H4Cl3NO/c11-6-2-3-7-5(9(6)10(13)15)1-4-8(12)14-7/h1-4H
InChIKeyGCAWOBBMMNMJSG-UHFFFAOYSA-N
MW260.51 g/mol
LogP3.92
Rot. Bonds1

About 2,6-dichloroquinoline-5-carbonyl chloride

2,6-dichloroquinoline-5-carbonyl chloride (PubChem CID 131843681) has the molecular formula C10H4Cl3NO and a molecular weight of 260.51 g/mol. Its IUPAC name is 2,6-dichloroquinoline-5-carbonyl chloride.

Molecular Properties

Compound Name2,6-dichloroquinoline-5-carbonyl chloride
PubChem CID131843681
Molecular FormulaC10H4Cl3NO
Molecular Weight260.51 g/mol
Exact Mass258.94
IUPAC Name2,6-dichloroquinoline-5-carbonyl chloride
SMILESO=C(Cl)c1c(Cl)ccc2nc(Cl)ccc12
InChIInChI=1S/C10H4Cl3NO/c11-6-2-3-7-5(9(6)10(13)15)1-4-8(12)14-7/h1-4H
InChIKeyGCAWOBBMMNMJSG-UHFFFAOYSA-N
XLogP3.92
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.51
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloroquinoline-5-carbonyl chloride?
The IUPAC name of 2,6-dichloroquinoline-5-carbonyl chloride (CID 131843681) is 2,6-dichloroquinoline-5-carbonyl chloride.
What is the SMILES notation for 2,6-dichloroquinoline-5-carbonyl chloride?
The canonical SMILES for 2,6-dichloroquinoline-5-carbonyl chloride is O=C(Cl)c1c(Cl)ccc2nc(Cl)ccc12.
What is the InChIKey of 2,6-dichloroquinoline-5-carbonyl chloride?
The InChIKey is GCAWOBBMMNMJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl3NO/c11-6-2-3-7-5(9(6)10(13)15)1-4-8(12)14-7/h1-4H.
What are the key properties of 2,6-dichloroquinoline-5-carbonyl chloride?
2,6-dichloroquinoline-5-carbonyl chloride has a molecular weight of 260.51 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloroquinoline-5-carbonyl chloride is sourced from PubChem (CID 131843681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).