8-bromo-2,3-dimethylquinoline

C11H10BrN — CID 11402096

IUPAC8-bromo-2,3-dimethylquinoline
SMILESCc1cc2cccc(Br)c2nc1C
InChIInChI=1S/C11H10BrN/c1-7-6-9-4-3-5-10(12)11(9)13-8(7)2/h3-6H,1-2H3
InChIKeyAHVHPLBNPGJZAN-UHFFFAOYSA-N
MW236.11 g/mol
LogP3.61
Rot. Bonds

About 8-bromo-2,3-dimethylquinoline

8-bromo-2,3-dimethylquinoline (PubChem CID 11402096) has the molecular formula C11H10BrN and a molecular weight of 236.11 g/mol. Its IUPAC name is 8-bromo-2,3-dimethylquinoline.

Molecular Properties

Compound Name8-bromo-2,3-dimethylquinoline
PubChem CID11402096
Molecular FormulaC11H10BrN
Molecular Weight236.11 g/mol
Exact Mass235.00
IUPAC Name8-bromo-2,3-dimethylquinoline
SMILESCc1cc2cccc(Br)c2nc1C
InChIInChI=1S/C11H10BrN/c1-7-6-9-4-3-5-10(12)11(9)13-8(7)2/h3-6H,1-2H3
InChIKeyAHVHPLBNPGJZAN-UHFFFAOYSA-N
XLogP3.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.11
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-2,3-dimethylquinoline?
The IUPAC name of 8-bromo-2,3-dimethylquinoline (CID 11402096) is 8-bromo-2,3-dimethylquinoline.
What is the SMILES notation for 8-bromo-2,3-dimethylquinoline?
The canonical SMILES for 8-bromo-2,3-dimethylquinoline is Cc1cc2cccc(Br)c2nc1C.
What is the InChIKey of 8-bromo-2,3-dimethylquinoline?
The InChIKey is AHVHPLBNPGJZAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN/c1-7-6-9-4-3-5-10(12)11(9)13-8(7)2/h3-6H,1-2H3.
What are the key properties of 8-bromo-2,3-dimethylquinoline?
8-bromo-2,3-dimethylquinoline has a molecular weight of 236.11 g/mol, XLogP of 3.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-2,3-dimethylquinoline is sourced from PubChem (CID 11402096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).