4-chloro-7-methoxyisoindole-1,3-dione

C9H6ClNO3 — CID 86201786

IUPAC4-chloro-7-methoxyisoindole-1,3-dione
SMILESCOc1ccc(Cl)c2c1C(=O)NC2=O
InChIInChI=1S/C9H6ClNO3/c1-14-5-3-2-4(10)6-7(5)9(13)11-8(6)12/h2-3H,1H3,(H,11,12,13)
InChIKeyWRCYYROHKZOSMQ-UHFFFAOYSA-N
MW211.60 g/mol
LogP1.23
Rot. Bonds1

About 4-chloro-7-methoxyisoindole-1,3-dione

4-chloro-7-methoxyisoindole-1,3-dione (PubChem CID 86201786) has the molecular formula C9H6ClNO3 and a molecular weight of 211.60 g/mol. Its IUPAC name is 4-chloro-7-methoxyisoindole-1,3-dione.

Molecular Properties

Compound Name4-chloro-7-methoxyisoindole-1,3-dione
PubChem CID86201786
Molecular FormulaC9H6ClNO3
Molecular Weight211.60 g/mol
Exact Mass211.00
IUPAC Name4-chloro-7-methoxyisoindole-1,3-dione
SMILESCOc1ccc(Cl)c2c1C(=O)NC2=O
InChIInChI=1S/C9H6ClNO3/c1-14-5-3-2-4(10)6-7(5)9(13)11-8(6)12/h2-3H,1H3,(H,11,12,13)
InChIKeyWRCYYROHKZOSMQ-UHFFFAOYSA-N
XLogP1.23
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.60
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 4-chloro-7-methoxyisoindole-1,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-7-methoxy-1H-indole-2,3-dione
CID 12511940
5-[(3-chloro-4-methoxyphenyl)methylidene]imidazolidine-2,4-dione
CID 3969795
3-amino-4-chloro-7-methoxy-1,3-dihydroindol-2-one
CID 82234613
bis(dichloromethane);1,4,5,8,9,12,13,16-octamethoxytetraphenylene
CID 139040001
5-chloro-4-propan-2-ylisoindole-1,3-dione
CID 170676311
8-chloro-5-methoxy-4-methyl-3,4-dihydro-2H-naphthalen-1-one
CID 104546581
4,5-dichloroisoindole-1,3-dione
CID 14948820
1,3-dichloro-5-(4-chloro-3-methoxyphenyl)benzene
CID 118811160
3-(4-chloro-7-methoxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 167342046
4-amino-5-(4-chloro-2-methoxyphenyl)pyrrolo[3,4-c]pyridine-1,3,6-trione
CID 169327356
3-chloro-4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 101137815
(3R)-8-chloro-4,4-difluoro-3-hydroxy-7-methoxy-2,3-dihydroisoquinolin-1-one
CID 129410873

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-methoxyisoindole-1,3-dione?
The IUPAC name of 4-chloro-7-methoxyisoindole-1,3-dione (CID 86201786) is 4-chloro-7-methoxyisoindole-1,3-dione.
What is the SMILES notation for 4-chloro-7-methoxyisoindole-1,3-dione?
The canonical SMILES for 4-chloro-7-methoxyisoindole-1,3-dione is COc1ccc(Cl)c2c1C(=O)NC2=O.
What is the InChIKey of 4-chloro-7-methoxyisoindole-1,3-dione?
The InChIKey is WRCYYROHKZOSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClNO3/c1-14-5-3-2-4(10)6-7(5)9(13)11-8(6)12/h2-3H,1H3,(H,11,12,13).
What are the key properties of 4-chloro-7-methoxyisoindole-1,3-dione?
4-chloro-7-methoxyisoindole-1,3-dione has a molecular weight of 211.60 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-methoxyisoindole-1,3-dione is sourced from PubChem (CID 86201786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).