8-bromo-6-(2-bromoethyl)quinoline

C11H9Br2N — CID 174405636

IUPAC8-bromo-6-(2-bromoethyl)quinoline
SMILESBrCCc1cc(Br)c2ncccc2c1
InChIInChI=1S/C11H9Br2N/c12-4-3-8-6-9-2-1-5-14-11(9)10(13)7-8/h1-2,5-7H,3-4H2
InChIKeyPXWYRSUPBMUJKJ-UHFFFAOYSA-N
MW315.01 g/mol
LogP3.93
Rot. Bonds2

About 8-bromo-6-(2-bromoethyl)quinoline

8-bromo-6-(2-bromoethyl)quinoline (PubChem CID 174405636) has the molecular formula C11H9Br2N and a molecular weight of 315.01 g/mol. Its IUPAC name is 8-bromo-6-(2-bromoethyl)quinoline.

Molecular Properties

Compound Name8-bromo-6-(2-bromoethyl)quinoline
PubChem CID174405636
Molecular FormulaC11H9Br2N
Molecular Weight315.01 g/mol
Exact Mass312.91
IUPAC Name8-bromo-6-(2-bromoethyl)quinoline
SMILESBrCCc1cc(Br)c2ncccc2c1
InChIInChI=1S/C11H9Br2N/c12-4-3-8-6-9-2-1-5-14-11(9)10(13)7-8/h1-2,5-7H,3-4H2
InChIKeyPXWYRSUPBMUJKJ-UHFFFAOYSA-N
XLogP3.93
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.01
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-(2-bromoethyl)quinoline?
The IUPAC name of 8-bromo-6-(2-bromoethyl)quinoline (CID 174405636) is 8-bromo-6-(2-bromoethyl)quinoline.
What is the SMILES notation for 8-bromo-6-(2-bromoethyl)quinoline?
The canonical SMILES for 8-bromo-6-(2-bromoethyl)quinoline is BrCCc1cc(Br)c2ncccc2c1.
What is the InChIKey of 8-bromo-6-(2-bromoethyl)quinoline?
The InChIKey is PXWYRSUPBMUJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Br2N/c12-4-3-8-6-9-2-1-5-14-11(9)10(13)7-8/h1-2,5-7H,3-4H2.
What are the key properties of 8-bromo-6-(2-bromoethyl)quinoline?
8-bromo-6-(2-bromoethyl)quinoline has a molecular weight of 315.01 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-(2-bromoethyl)quinoline is sourced from PubChem (CID 174405636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).