5-bromo-3,4-dihydroquinoline

C9H8BrN — CID 175823100

IUPAC5-bromo-3,4-dihydroquinoline
SMILESBrc1cccc2c1CCC=N2
InChIInChI=1S/C9H8BrN/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1,4-6H,2-3H2
InChIKeyWODHWXXGQMPANN-UHFFFAOYSA-N
MW210.07 g/mol
LogP3.10
Rot. Bonds

About 5-bromo-3,4-dihydroquinoline

5-bromo-3,4-dihydroquinoline (PubChem CID 175823100) has the molecular formula C9H8BrN and a molecular weight of 210.07 g/mol. Its IUPAC name is 5-bromo-3,4-dihydroquinoline.

Molecular Properties

Compound Name5-bromo-3,4-dihydroquinoline
PubChem CID175823100
Molecular FormulaC9H8BrN
Molecular Weight210.07 g/mol
Exact Mass208.98
IUPAC Name5-bromo-3,4-dihydroquinoline
SMILESBrc1cccc2c1CCC=N2
InChIInChI=1S/C9H8BrN/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1,4-6H,2-3H2
InChIKeyWODHWXXGQMPANN-UHFFFAOYSA-N
XLogP3.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.07
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3,4-dihydroquinoline?
The IUPAC name of 5-bromo-3,4-dihydroquinoline (CID 175823100) is 5-bromo-3,4-dihydroquinoline.
What is the SMILES notation for 5-bromo-3,4-dihydroquinoline?
The canonical SMILES for 5-bromo-3,4-dihydroquinoline is Brc1cccc2c1CCC=N2.
What is the InChIKey of 5-bromo-3,4-dihydroquinoline?
The InChIKey is WODHWXXGQMPANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1,4-6H,2-3H2.
What are the key properties of 5-bromo-3,4-dihydroquinoline?
5-bromo-3,4-dihydroquinoline has a molecular weight of 210.07 g/mol, XLogP of 3.10, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3,4-dihydroquinoline is sourced from PubChem (CID 175823100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).