5-bromo-2,3-dihydroquinoline

C9H8BrN — CID 22042156

IUPAC5-bromo-2,3-dihydroquinoline
SMILESBrc1cccc2c1=CCCN=2
InChIInChI=1S/C9H8BrN/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1,3-5H,2,6H2
InChIKeyLRKFAXDBBAKACN-UHFFFAOYSA-N
MW210.07 g/mol
LogP1.25
Rot. Bonds

About 5-bromo-2,3-dihydroquinoline

5-bromo-2,3-dihydroquinoline (PubChem CID 22042156) has the molecular formula C9H8BrN and a molecular weight of 210.07 g/mol. Its IUPAC name is 5-bromo-2,3-dihydroquinoline.

Molecular Properties

Compound Name5-bromo-2,3-dihydroquinoline
PubChem CID22042156
Molecular FormulaC9H8BrN
Molecular Weight210.07 g/mol
Exact Mass208.98
IUPAC Name5-bromo-2,3-dihydroquinoline
SMILESBrc1cccc2c1=CCCN=2
InChIInChI=1S/C9H8BrN/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1,3-5H,2,6H2
InChIKeyLRKFAXDBBAKACN-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3-dihydroquinoline?
The IUPAC name of 5-bromo-2,3-dihydroquinoline (CID 22042156) is 5-bromo-2,3-dihydroquinoline.
What is the SMILES notation for 5-bromo-2,3-dihydroquinoline?
The canonical SMILES for 5-bromo-2,3-dihydroquinoline is Brc1cccc2c1=CCCN=2.
What is the InChIKey of 5-bromo-2,3-dihydroquinoline?
The InChIKey is LRKFAXDBBAKACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN/c10-8-4-1-5-9-7(8)3-2-6-11-9/h1,3-5H,2,6H2.
What are the key properties of 5-bromo-2,3-dihydroquinoline?
5-bromo-2,3-dihydroquinoline has a molecular weight of 210.07 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3-dihydroquinoline is sourced from PubChem (CID 22042156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).