5-bromo-1,2,3,4-tetrahydroquinoline;hydrochloride

C9H11BrClN — CID 46238398

IUPAC5-bromo-1,2,3,4-tetrahydroquinoline;hydrochloride
SMILESBrc1cccc2c1CCCN2.Cl
InChIInChI=1S/C9H10BrN.ClH/c10-8-4-1-5-9-7(8)3-2-6-11-9;/h1,4-5,11H,2-3,6H2;1H
InChIKeyRPHAEDCEIPCYBX-UHFFFAOYSA-N
MW248.55 g/mol
LogP3.23
Rot. Bonds

About 5-bromo-1,2,3,4-tetrahydroquinoline;hydrochloride

5-bromo-1,2,3,4-tetrahydroquinoline;hydrochloride (PubChem CID 46238398) has the molecular formula C9H11BrClN and a molecular weight of 248.55 g/mol. Its IUPAC name is 5-bromo-1,2,3,4-tetrahydroquinoline;hydrochloride.

Molecular Properties

Compound Name5-bromo-1,2,3,4-tetrahydroquinoline;hydrochloride
PubChem CID46238398
Molecular FormulaC9H11BrClN
Molecular Weight248.55 g/mol
Exact Mass246.98
IUPAC Name5-bromo-1,2,3,4-tetrahydroquinoline;hydrochloride
SMILESBrc1cccc2c1CCCN2.Cl
InChIInChI=1S/C9H10BrN.ClH/c10-8-4-1-5-9-7(8)3-2-6-11-9;/h1,4-5,11H,2-3,6H2;1H
InChIKeyRPHAEDCEIPCYBX-UHFFFAOYSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.55
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1,2,3,4-tetrahydroquinoline;hydrochloride?
The IUPAC name of 5-bromo-1,2,3,4-tetrahydroquinoline;hydrochloride (CID 46238398) is 5-bromo-1,2,3,4-tetrahydroquinoline;hydrochloride.
What is the SMILES notation for 5-bromo-1,2,3,4-tetrahydroquinoline;hydrochloride?
The canonical SMILES for 5-bromo-1,2,3,4-tetrahydroquinoline;hydrochloride is Brc1cccc2c1CCCN2.Cl.
What is the InChIKey of 5-bromo-1,2,3,4-tetrahydroquinoline;hydrochloride?
The InChIKey is RPHAEDCEIPCYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN.ClH/c10-8-4-1-5-9-7(8)3-2-6-11-9;/h1,4-5,11H,2-3,6H2;1H.
What are the key properties of 5-bromo-1,2,3,4-tetrahydroquinoline;hydrochloride?
5-bromo-1,2,3,4-tetrahydroquinoline;hydrochloride has a molecular weight of 248.55 g/mol, XLogP of 3.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1,2,3,4-tetrahydroquinoline;hydrochloride is sourced from PubChem (CID 46238398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).