8-bromo-6-ethylquinoline

C11H10BrN — CID 19381206

IUPAC8-bromo-6-ethylquinoline
SMILESCCc1cc(Br)c2ncccc2c1
InChIInChI=1S/C11H10BrN/c1-2-8-6-9-4-3-5-13-11(9)10(12)7-8/h3-7H,2H2,1H3
InChIKeyAATYYFKHRSKUTP-UHFFFAOYSA-N
MW236.11 g/mol
LogP3.56
Rot. Bonds1

About 8-bromo-6-ethylquinoline

8-bromo-6-ethylquinoline (PubChem CID 19381206) has the molecular formula C11H10BrN and a molecular weight of 236.11 g/mol. Its IUPAC name is 8-bromo-6-ethylquinoline.

Molecular Properties

Compound Name8-bromo-6-ethylquinoline
PubChem CID19381206
Molecular FormulaC11H10BrN
Molecular Weight236.11 g/mol
Exact Mass235.00
IUPAC Name8-bromo-6-ethylquinoline
SMILESCCc1cc(Br)c2ncccc2c1
InChIInChI=1S/C11H10BrN/c1-2-8-6-9-4-3-5-13-11(9)10(12)7-8/h3-7H,2H2,1H3
InChIKeyAATYYFKHRSKUTP-UHFFFAOYSA-N
XLogP3.56
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-ethylquinoline?
The IUPAC name of 8-bromo-6-ethylquinoline (CID 19381206) is 8-bromo-6-ethylquinoline.
What is the SMILES notation for 8-bromo-6-ethylquinoline?
The canonical SMILES for 8-bromo-6-ethylquinoline is CCc1cc(Br)c2ncccc2c1.
What is the InChIKey of 8-bromo-6-ethylquinoline?
The InChIKey is AATYYFKHRSKUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN/c1-2-8-6-9-4-3-5-13-11(9)10(12)7-8/h3-7H,2H2,1H3.
What are the key properties of 8-bromo-6-ethylquinoline?
8-bromo-6-ethylquinoline has a molecular weight of 236.11 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-ethylquinoline is sourced from PubChem (CID 19381206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).