4,7-dichloro-2-hydroxy-5,6-dimethylisoindole-1,3-dione

C10H7Cl2NO3 — CID 142507939

IUPAC4,7-dichloro-2-hydroxy-5,6-dimethylisoindole-1,3-dione
SMILESCc1c(C)c(Cl)c2c(c1Cl)C(=O)N(O)C2=O
InChIInChI=1S/C10H7Cl2NO3/c1-3-4(2)8(12)6-5(7(3)11)9(14)13(16)10(6)15/h16H,1-2H3
InChIKeyYSQWYBOBARRELM-UHFFFAOYSA-N
MW260.08 g/mol
LogP2.60
Rot. Bonds

About 4,7-dichloro-2-hydroxy-5,6-dimethylisoindole-1,3-dione

4,7-dichloro-2-hydroxy-5,6-dimethylisoindole-1,3-dione (PubChem CID 142507939) has the molecular formula C10H7Cl2NO3 and a molecular weight of 260.08 g/mol. Its IUPAC name is 4,7-dichloro-2-hydroxy-5,6-dimethylisoindole-1,3-dione.

Molecular Properties

Compound Name4,7-dichloro-2-hydroxy-5,6-dimethylisoindole-1,3-dione
PubChem CID142507939
Molecular FormulaC10H7Cl2NO3
Molecular Weight260.08 g/mol
Exact Mass258.98
IUPAC Name4,7-dichloro-2-hydroxy-5,6-dimethylisoindole-1,3-dione
SMILESCc1c(C)c(Cl)c2c(c1Cl)C(=O)N(O)C2=O
InChIInChI=1S/C10H7Cl2NO3/c1-3-4(2)8(12)6-5(7(3)11)9(14)13(16)10(6)15/h16H,1-2H3
InChIKeyYSQWYBOBARRELM-UHFFFAOYSA-N
XLogP2.60
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.08
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-hydroxy-4-methylisoindole-1,3-dione
CID 15893222
1-chloro-2,3,5,6-tetramethyl-4-(2,3,4,5,6-pentamethylphenyl)benzene
CID 54008423
4,5,7-trichloro-3-imino-6-methyl-2-sulfanylisoindol-1-one
CID 22346042
1,2,3,4-tetrachloro-5,6-dimethylbenzene;dihydrochloride
CID 172812732
2-hydroxy-4,5,6,7-tetraphenylisoindole-1,3-dione
CID 11328819
2,3-dichloro-6,13-diethyl-9,10-dimethyl-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1,3,8(16),9,11(15)-pentaene-5,7,12,14-tetrone
CID 70946839
5-chloro-2,4,6-trimethylpyridazin-3-one
CID 89488103
3-hydroxy-3-azabicyclo[3.2.0]hept-1(5)-ene-2,4-dione
CID 129019384
4,5,6-trichloro-2-(4,7-dichloro-5,6-dimethyl-1,3-dimethylideneisoindol-2-yl)-7-methyl-3-methylideneisoindol-1-one
CID 166968419
2,5-dichloro-3,4,6-trimethylbenzoic acid
CID 20648398
5-chloro-6-hydroxy-1,4-dimethylpyridin-2-one
CID 54448475
4,5,7-trichloro-6-(2,4-dimethyl-1,3-thiazol-5-yl)-2-(3-hydroxypropyl)isoindole-1,3-dione
CID 139072107

Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-2-hydroxy-5,6-dimethylisoindole-1,3-dione?
The IUPAC name of 4,7-dichloro-2-hydroxy-5,6-dimethylisoindole-1,3-dione (CID 142507939) is 4,7-dichloro-2-hydroxy-5,6-dimethylisoindole-1,3-dione.
What is the SMILES notation for 4,7-dichloro-2-hydroxy-5,6-dimethylisoindole-1,3-dione?
The canonical SMILES for 4,7-dichloro-2-hydroxy-5,6-dimethylisoindole-1,3-dione is Cc1c(C)c(Cl)c2c(c1Cl)C(=O)N(O)C2=O.
What is the InChIKey of 4,7-dichloro-2-hydroxy-5,6-dimethylisoindole-1,3-dione?
The InChIKey is YSQWYBOBARRELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO3/c1-3-4(2)8(12)6-5(7(3)11)9(14)13(16)10(6)15/h16H,1-2H3.
What are the key properties of 4,7-dichloro-2-hydroxy-5,6-dimethylisoindole-1,3-dione?
4,7-dichloro-2-hydroxy-5,6-dimethylisoindole-1,3-dione has a molecular weight of 260.08 g/mol, XLogP of 2.60, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-2-hydroxy-5,6-dimethylisoindole-1,3-dione is sourced from PubChem (CID 142507939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).