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

C9H11BrClN — CID 17352717

IUPAC6-bromo-1,2,3,4-tetrahydroquinoline;hydrochloride
SMILESBrc1ccc2c(c1)CCCN2.Cl
InChIInChI=1S/C9H10BrN.ClH/c10-8-3-4-9-7(6-8)2-1-5-11-9;/h3-4,6,11H,1-2,5H2;1H
InChIKeyFKCOBRNCTDQDBY-UHFFFAOYSA-N
MW248.55 g/mol
LogP3.23
Rot. Bonds

About 6-bromo-1,2,3,4-tetrahydroquinoline;hydrochloride

6-bromo-1,2,3,4-tetrahydroquinoline;hydrochloride (PubChem CID 17352717) has the molecular formula C9H11BrClN and a molecular weight of 248.55 g/mol. Its IUPAC name is 6-bromo-1,2,3,4-tetrahydroquinoline;hydrochloride.

Molecular Properties

Compound Name6-bromo-1,2,3,4-tetrahydroquinoline;hydrochloride
PubChem CID17352717
Molecular FormulaC9H11BrClN
Molecular Weight248.55 g/mol
Exact Mass246.98
IUPAC Name6-bromo-1,2,3,4-tetrahydroquinoline;hydrochloride
SMILESBrc1ccc2c(c1)CCCN2.Cl
InChIInChI=1S/C9H10BrN.ClH/c10-8-3-4-9-7(6-8)2-1-5-11-9;/h3-4,6,11H,1-2,5H2;1H
InChIKeyFKCOBRNCTDQDBY-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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Related Compounds

1,2,3,4-Tetrahydroquinoline
CID 69460
2-Methyl-1,2,3,4-tetrahydroquinoline
CID 96289
5-Bromoindoline
CID 3411566
N-benzyl-4-bromoaniline
CID 961575
6-Bromo-1,2,3,4-tetrahydroquinoline
CID 4715029
6-bromo-3-[(E)-3-chloroprop-2-enyl]-2-methyl-1H-quinoline-4-thione
CID 1830754
4-Bromo-julolidine
CID 2757027
4-bromo-N-(4-methylbenzyl)aniline
CID 292569
(2S)-5-bromo-2-methyl-2,3-dihydro-1H-indole
CID 40815975
6-Bromo-2,2,4-trimethyl-1,2-dihydroquinoline
CID 10729464
(2R)-5-bromo-2-methyl-2,3-dihydro-1H-indole
CID 11984031
5-Bromo-1,2,3,4-tetrahydroquinoline
CID 13865046

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1,2,3,4-tetrahydroquinoline;hydrochloride?
The IUPAC name of 6-bromo-1,2,3,4-tetrahydroquinoline;hydrochloride (CID 17352717) is 6-bromo-1,2,3,4-tetrahydroquinoline;hydrochloride.
What is the SMILES notation for 6-bromo-1,2,3,4-tetrahydroquinoline;hydrochloride?
The canonical SMILES for 6-bromo-1,2,3,4-tetrahydroquinoline;hydrochloride is Brc1ccc2c(c1)CCCN2.Cl.
What is the InChIKey of 6-bromo-1,2,3,4-tetrahydroquinoline;hydrochloride?
The InChIKey is FKCOBRNCTDQDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN.ClH/c10-8-3-4-9-7(6-8)2-1-5-11-9;/h3-4,6,11H,1-2,5H2;1H.
What are the key properties of 6-bromo-1,2,3,4-tetrahydroquinoline;hydrochloride?
6-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 6-bromo-1,2,3,4-tetrahydroquinoline;hydrochloride is sourced from PubChem (CID 17352717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).