8-bromo-2-chloro-3-ethyl-6-fluoroquinoline

C11H8BrClFN — CID 63231922

IUPAC8-bromo-2-chloro-3-ethyl-6-fluoroquinoline
SMILESCCc1cc2cc(F)cc(Br)c2nc1Cl
InChIInChI=1S/C11H8BrClFN/c1-2-6-3-7-4-8(14)5-9(12)10(7)15-11(6)13/h3-5H,2H2,1H3
InChIKeyGKXLFUHYJHBBKF-UHFFFAOYSA-N
MW288.55 g/mol
LogP4.35
Rot. Bonds1

About 8-bromo-2-chloro-3-ethyl-6-fluoroquinoline

8-bromo-2-chloro-3-ethyl-6-fluoroquinoline (PubChem CID 63231922) has the molecular formula C11H8BrClFN and a molecular weight of 288.55 g/mol. Its IUPAC name is 8-bromo-2-chloro-3-ethyl-6-fluoroquinoline.

Molecular Properties

Compound Name8-bromo-2-chloro-3-ethyl-6-fluoroquinoline
PubChem CID63231922
Molecular FormulaC11H8BrClFN
Molecular Weight288.55 g/mol
Exact Mass286.95
IUPAC Name8-bromo-2-chloro-3-ethyl-6-fluoroquinoline
SMILESCCc1cc2cc(F)cc(Br)c2nc1Cl
InChIInChI=1S/C11H8BrClFN/c1-2-6-3-7-4-8(14)5-9(12)10(7)15-11(6)13/h3-5H,2H2,1H3
InChIKeyGKXLFUHYJHBBKF-UHFFFAOYSA-N
XLogP4.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.55
LogP ≤ 54.35
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 8-bromo-2-chloro-3-ethyl-6-fluoroquinoline?
The IUPAC name of 8-bromo-2-chloro-3-ethyl-6-fluoroquinoline (CID 63231922) is 8-bromo-2-chloro-3-ethyl-6-fluoroquinoline.
What is the SMILES notation for 8-bromo-2-chloro-3-ethyl-6-fluoroquinoline?
The canonical SMILES for 8-bromo-2-chloro-3-ethyl-6-fluoroquinoline is CCc1cc2cc(F)cc(Br)c2nc1Cl.
What is the InChIKey of 8-bromo-2-chloro-3-ethyl-6-fluoroquinoline?
The InChIKey is GKXLFUHYJHBBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFN/c1-2-6-3-7-4-8(14)5-9(12)10(7)15-11(6)13/h3-5H,2H2,1H3.
What are the key properties of 8-bromo-2-chloro-3-ethyl-6-fluoroquinoline?
8-bromo-2-chloro-3-ethyl-6-fluoroquinoline has a molecular weight of 288.55 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2-chloro-3-ethyl-6-fluoroquinoline is sourced from PubChem (CID 63231922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).