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

C8H8Cl3N — CID 53418200

IUPAC5,7-dichloro-2,3-dihydro-1H-indole;hydrochloride
SMILESCl.Clc1cc(Cl)c2c(c1)CCN2
InChIInChI=1S/C8H7Cl2N.ClH/c9-6-3-5-1-2-11-8(5)7(10)4-6;/h3-4,11H,1-2H2;1H
InChIKeyMWIGYJZZNANODK-UHFFFAOYSA-N
MW224.52 g/mol
LogP3.38
Rot. Bonds

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

5,7-dichloro-2,3-dihydro-1H-indole;hydrochloride (PubChem CID 53418200) has the molecular formula C8H8Cl3N and a molecular weight of 224.52 g/mol. Its IUPAC name is 5,7-dichloro-2,3-dihydro-1H-indole;hydrochloride.

Molecular Properties

Compound Name5,7-dichloro-2,3-dihydro-1H-indole;hydrochloride
PubChem CID53418200
Molecular FormulaC8H8Cl3N
Molecular Weight224.52 g/mol
Exact Mass222.97
IUPAC Name5,7-dichloro-2,3-dihydro-1H-indole;hydrochloride
SMILESCl.Clc1cc(Cl)c2c(c1)CCN2
InChIInChI=1S/C8H7Cl2N.ClH/c9-6-3-5-1-2-11-8(5)7(10)4-6;/h3-4,11H,1-2H2;1H
InChIKeyMWIGYJZZNANODK-UHFFFAOYSA-N
XLogP3.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.52
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2,3-dihydro-1H-indole;hydrochloride?
The IUPAC name of 5,7-dichloro-2,3-dihydro-1H-indole;hydrochloride (CID 53418200) is 5,7-dichloro-2,3-dihydro-1H-indole;hydrochloride.
What is the SMILES notation for 5,7-dichloro-2,3-dihydro-1H-indole;hydrochloride?
The canonical SMILES for 5,7-dichloro-2,3-dihydro-1H-indole;hydrochloride is Cl.Clc1cc(Cl)c2c(c1)CCN2.
What is the InChIKey of 5,7-dichloro-2,3-dihydro-1H-indole;hydrochloride?
The InChIKey is MWIGYJZZNANODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2N.ClH/c9-6-3-5-1-2-11-8(5)7(10)4-6;/h3-4,11H,1-2H2;1H.
What are the key properties of 5,7-dichloro-2,3-dihydro-1H-indole;hydrochloride?
5,7-dichloro-2,3-dihydro-1H-indole;hydrochloride has a molecular weight of 224.52 g/mol, XLogP of 3.38, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2,3-dihydro-1H-indole;hydrochloride is sourced from PubChem (CID 53418200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).