3-chloro-5H-isoindole

C8H6ClN — CID 151622402

IUPAC3-chloro-5H-isoindole
SMILESClC1=NC=C2C=CCC=C21
InChIInChI=1S/C8H6ClN/c9-8-7-4-2-1-3-6(7)5-10-8/h1,3-5H,2H2
InChIKeyQOUDGCQTWZZSGA-UHFFFAOYSA-N
MW151.60 g/mol
LogP2.41
Rot. Bonds

About 3-chloro-5H-isoindole

3-chloro-5H-isoindole (PubChem CID 151622402) has the molecular formula C8H6ClN and a molecular weight of 151.60 g/mol. Its IUPAC name is 3-chloro-5H-isoindole.

Molecular Properties

Compound Name3-chloro-5H-isoindole
PubChem CID151622402
Molecular FormulaC8H6ClN
Molecular Weight151.60 g/mol
Exact Mass151.02
IUPAC Name3-chloro-5H-isoindole
SMILESClC1=NC=C2C=CCC=C21
InChIInChI=1S/C8H6ClN/c9-8-7-4-2-1-3-6(7)5-10-8/h1,3-5H,2H2
InChIKeyQOUDGCQTWZZSGA-UHFFFAOYSA-N
XLogP2.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.60
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-5H-isoindole?
The IUPAC name of 3-chloro-5H-isoindole (CID 151622402) is 3-chloro-5H-isoindole.
What is the SMILES notation for 3-chloro-5H-isoindole?
The canonical SMILES for 3-chloro-5H-isoindole is ClC1=NC=C2C=CCC=C21.
What is the InChIKey of 3-chloro-5H-isoindole?
The InChIKey is QOUDGCQTWZZSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClN/c9-8-7-4-2-1-3-6(7)5-10-8/h1,3-5H,2H2.
What are the key properties of 3-chloro-5H-isoindole?
3-chloro-5H-isoindole has a molecular weight of 151.60 g/mol, XLogP of 2.41, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5H-isoindole is sourced from PubChem (CID 151622402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).