6-bromo-1,2-dihydroquinoline

C9H8BrN — CID 18620049

IUPAC6-bromo-1,2-dihydroquinoline
SMILESBrc1ccc2c(c1)C=CCN2
InChIInChI=1S/C9H8BrN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-4,6,11H,5H2
InChIKeyOPVNBHHRSHEKBJ-UHFFFAOYSA-N
MW210.07 g/mol
LogP2.89
Rot. Bonds

About 6-bromo-1,2-dihydroquinoline

6-bromo-1,2-dihydroquinoline (PubChem CID 18620049) has the molecular formula C9H8BrN and a molecular weight of 210.07 g/mol. Its IUPAC name is 6-bromo-1,2-dihydroquinoline.

Molecular Properties

Compound Name6-bromo-1,2-dihydroquinoline
PubChem CID18620049
Molecular FormulaC9H8BrN
Molecular Weight210.07 g/mol
Exact Mass208.98
IUPAC Name6-bromo-1,2-dihydroquinoline
SMILESBrc1ccc2c(c1)C=CCN2
InChIInChI=1S/C9H8BrN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-4,6,11H,5H2
InChIKeyOPVNBHHRSHEKBJ-UHFFFAOYSA-N
XLogP2.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.07
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,2-dihydroquinoline?
The IUPAC name of 6-bromo-1,2-dihydroquinoline (CID 18620049) is 6-bromo-1,2-dihydroquinoline.
What is the SMILES notation for 6-bromo-1,2-dihydroquinoline?
The canonical SMILES for 6-bromo-1,2-dihydroquinoline is Brc1ccc2c(c1)C=CCN2.
What is the InChIKey of 6-bromo-1,2-dihydroquinoline?
The InChIKey is OPVNBHHRSHEKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN/c10-8-3-4-9-7(6-8)2-1-5-11-9/h1-4,6,11H,5H2.
What are the key properties of 6-bromo-1,2-dihydroquinoline?
6-bromo-1,2-dihydroquinoline has a molecular weight of 210.07 g/mol, XLogP of 2.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1,2-dihydroquinoline is sourced from PubChem (CID 18620049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).