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

C8H8BrCl2N — CID 102555189

IUPAC7-bromo-5-chloro-2,3-dihydro-1H-indole;hydrochloride
SMILESCl.Clc1cc(Br)c2c(c1)CCN2
InChIInChI=1S/C8H7BrClN.ClH/c9-7-4-6(10)3-5-1-2-11-8(5)7;/h3-4,11H,1-2H2;1H
InChIKeyKZIKULURICSDCB-UHFFFAOYSA-N
MW268.97 g/mol
LogP3.49
Rot. Bonds

About 7-bromo-5-chloro-2,3-dihydro-1H-indole;hydrochloride

7-bromo-5-chloro-2,3-dihydro-1H-indole;hydrochloride (PubChem CID 102555189) has the molecular formula C8H8BrCl2N and a molecular weight of 268.97 g/mol. Its IUPAC name is 7-bromo-5-chloro-2,3-dihydro-1H-indole;hydrochloride.

Molecular Properties

Compound Name7-bromo-5-chloro-2,3-dihydro-1H-indole;hydrochloride
PubChem CID102555189
Molecular FormulaC8H8BrCl2N
Molecular Weight268.97 g/mol
Exact Mass266.92
IUPAC Name7-bromo-5-chloro-2,3-dihydro-1H-indole;hydrochloride
SMILESCl.Clc1cc(Br)c2c(c1)CCN2
InChIInChI=1S/C8H7BrClN.ClH/c9-7-4-6(10)3-5-1-2-11-8(5)7;/h3-4,11H,1-2H2;1H
InChIKeyKZIKULURICSDCB-UHFFFAOYSA-N
XLogP3.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.97
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-chloro-2,3-dihydro-1H-indole;hydrochloride?
The IUPAC name of 7-bromo-5-chloro-2,3-dihydro-1H-indole;hydrochloride (CID 102555189) is 7-bromo-5-chloro-2,3-dihydro-1H-indole;hydrochloride.
What is the SMILES notation for 7-bromo-5-chloro-2,3-dihydro-1H-indole;hydrochloride?
The canonical SMILES for 7-bromo-5-chloro-2,3-dihydro-1H-indole;hydrochloride is Cl.Clc1cc(Br)c2c(c1)CCN2.
What is the InChIKey of 7-bromo-5-chloro-2,3-dihydro-1H-indole;hydrochloride?
The InChIKey is KZIKULURICSDCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClN.ClH/c9-7-4-6(10)3-5-1-2-11-8(5)7;/h3-4,11H,1-2H2;1H.
What are the key properties of 7-bromo-5-chloro-2,3-dihydro-1H-indole;hydrochloride?
7-bromo-5-chloro-2,3-dihydro-1H-indole;hydrochloride has a molecular weight of 268.97 g/mol, XLogP of 3.49, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-chloro-2,3-dihydro-1H-indole;hydrochloride is sourced from PubChem (CID 102555189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).