5-bromo-2,3-dihydro-1H-indole;hydrochloride

C8H9BrClN — CID 57370238

IUPAC5-bromo-2,3-dihydro-1H-indole;hydrochloride
SMILESBrc1ccc2c(c1)CCN2.Cl
InChIInChI=1S/C8H8BrN.ClH/c9-7-1-2-8-6(5-7)3-4-10-8;/h1-2,5,10H,3-4H2;1H
InChIKeyJKJBSPYKVDWLOG-UHFFFAOYSA-N
MW234.52 g/mol
LogP2.84
Rot. Bonds

About 5-bromo-2,3-dihydro-1H-indole;hydrochloride

5-bromo-2,3-dihydro-1H-indole;hydrochloride (PubChem CID 57370238) has the molecular formula C8H9BrClN and a molecular weight of 234.52 g/mol. Its IUPAC name is 5-bromo-2,3-dihydro-1H-indole;hydrochloride.

Molecular Properties

Compound Name5-bromo-2,3-dihydro-1H-indole;hydrochloride
PubChem CID57370238
Molecular FormulaC8H9BrClN
Molecular Weight234.52 g/mol
Exact Mass232.96
IUPAC Name5-bromo-2,3-dihydro-1H-indole;hydrochloride
SMILESBrc1ccc2c(c1)CCN2.Cl
InChIInChI=1S/C8H8BrN.ClH/c9-7-1-2-8-6(5-7)3-4-10-8;/h1-2,5,10H,3-4H2;1H
InChIKeyJKJBSPYKVDWLOG-UHFFFAOYSA-N
XLogP2.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.52
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 10328
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5-Bromoindoline
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Ver-3323
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N-benzyl-4-bromoaniline
CID 961575
1-(5-bromo-2,3-dihydro-1H-indol-1-yl)ethan-1-one
CID 721847
6-Bromo-1,2,3,4-tetrahydroquinoline
CID 4715029
(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-methyl-2,3-dihydro-1H-indole
CID 19361435
4-Bromo-N,2-diethylaniline
CID 23053415

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2,3-dihydro-1H-indole;hydrochloride?
The IUPAC name of 5-bromo-2,3-dihydro-1H-indole;hydrochloride (CID 57370238) is 5-bromo-2,3-dihydro-1H-indole;hydrochloride.
What is the SMILES notation for 5-bromo-2,3-dihydro-1H-indole;hydrochloride?
The canonical SMILES for 5-bromo-2,3-dihydro-1H-indole;hydrochloride is Brc1ccc2c(c1)CCN2.Cl.
What is the InChIKey of 5-bromo-2,3-dihydro-1H-indole;hydrochloride?
The InChIKey is JKJBSPYKVDWLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrN.ClH/c9-7-1-2-8-6(5-7)3-4-10-8;/h1-2,5,10H,3-4H2;1H.
What are the key properties of 5-bromo-2,3-dihydro-1H-indole;hydrochloride?
5-bromo-2,3-dihydro-1H-indole;hydrochloride has a molecular weight of 234.52 g/mol, XLogP of 2.84, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2,3-dihydro-1H-indole;hydrochloride is sourced from PubChem (CID 57370238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).