6-bromo-2-chloro-3-ethylquinoline

C11H9BrClN — CID 11346277

IUPAC6-bromo-2-chloro-3-ethylquinoline
SMILESCCc1cc2cc(Br)ccc2nc1Cl
InChIInChI=1S/C11H9BrClN/c1-2-7-5-8-6-9(12)3-4-10(8)14-11(7)13/h3-6H,2H2,1H3
InChIKeyRDBIGYMOEAEGJM-UHFFFAOYSA-N
MW270.56 g/mol
LogP4.21
Rot. Bonds1

About 6-bromo-2-chloro-3-ethylquinoline

6-bromo-2-chloro-3-ethylquinoline (PubChem CID 11346277) has the molecular formula C11H9BrClN and a molecular weight of 270.56 g/mol. Its IUPAC name is 6-bromo-2-chloro-3-ethylquinoline.

Molecular Properties

Compound Name6-bromo-2-chloro-3-ethylquinoline
PubChem CID11346277
Molecular FormulaC11H9BrClN
Molecular Weight270.56 g/mol
Exact Mass268.96
IUPAC Name6-bromo-2-chloro-3-ethylquinoline
SMILESCCc1cc2cc(Br)ccc2nc1Cl
InChIInChI=1S/C11H9BrClN/c1-2-7-5-8-6-9(12)3-4-10(8)14-11(7)13/h3-6H,2H2,1H3
InChIKeyRDBIGYMOEAEGJM-UHFFFAOYSA-N
XLogP4.21
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.56
LogP ≤ 54.21
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 6-bromo-2-chloro-3-ethylquinoline?
The IUPAC name of 6-bromo-2-chloro-3-ethylquinoline (CID 11346277) is 6-bromo-2-chloro-3-ethylquinoline.
What is the SMILES notation for 6-bromo-2-chloro-3-ethylquinoline?
The canonical SMILES for 6-bromo-2-chloro-3-ethylquinoline is CCc1cc2cc(Br)ccc2nc1Cl.
What is the InChIKey of 6-bromo-2-chloro-3-ethylquinoline?
The InChIKey is RDBIGYMOEAEGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrClN/c1-2-7-5-8-6-9(12)3-4-10(8)14-11(7)13/h3-6H,2H2,1H3.
What are the key properties of 6-bromo-2-chloro-3-ethylquinoline?
6-bromo-2-chloro-3-ethylquinoline has a molecular weight of 270.56 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-chloro-3-ethylquinoline is sourced from PubChem (CID 11346277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).