4,7-dichloro-1-hydroxy-3-methyl-3H-indol-2-one

C9H7Cl2NO2 — CID 10421432

IUPAC4,7-dichloro-1-hydroxy-3-methyl-3H-indol-2-one
SMILESCC1C(=O)N(O)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C9H7Cl2NO2/c1-4-7-5(10)2-3-6(11)8(7)12(14)9(4)13/h2-4,14H,1H3
InChIKeyHHZBZHKWGQPWTL-UHFFFAOYSA-N
MW232.07 g/mol
LogP2.83
Rot. Bonds

About 4,7-dichloro-1-hydroxy-3-methyl-3H-indol-2-one

4,7-dichloro-1-hydroxy-3-methyl-3H-indol-2-one (PubChem CID 10421432) has the molecular formula C9H7Cl2NO2 and a molecular weight of 232.07 g/mol. Its IUPAC name is 4,7-dichloro-1-hydroxy-3-methyl-3H-indol-2-one.

Molecular Properties

Compound Name4,7-dichloro-1-hydroxy-3-methyl-3H-indol-2-one
PubChem CID10421432
Molecular FormulaC9H7Cl2NO2
Molecular Weight232.07 g/mol
Exact Mass230.99
IUPAC Name4,7-dichloro-1-hydroxy-3-methyl-3H-indol-2-one
SMILESCC1C(=O)N(O)c2c(Cl)ccc(Cl)c21
InChIInChI=1S/C9H7Cl2NO2/c1-4-7-5(10)2-3-6(11)8(7)12(14)9(4)13/h2-4,14H,1H3
InChIKeyHHZBZHKWGQPWTL-UHFFFAOYSA-N
XLogP2.83
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.07
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,7-dichloro-1-hydroxy-3-methyl-3H-indol-2-one?
The IUPAC name of 4,7-dichloro-1-hydroxy-3-methyl-3H-indol-2-one (CID 10421432) is 4,7-dichloro-1-hydroxy-3-methyl-3H-indol-2-one.
What is the SMILES notation for 4,7-dichloro-1-hydroxy-3-methyl-3H-indol-2-one?
The canonical SMILES for 4,7-dichloro-1-hydroxy-3-methyl-3H-indol-2-one is CC1C(=O)N(O)c2c(Cl)ccc(Cl)c21.
What is the InChIKey of 4,7-dichloro-1-hydroxy-3-methyl-3H-indol-2-one?
The InChIKey is HHZBZHKWGQPWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2NO2/c1-4-7-5(10)2-3-6(11)8(7)12(14)9(4)13/h2-4,14H,1H3.
What are the key properties of 4,7-dichloro-1-hydroxy-3-methyl-3H-indol-2-one?
4,7-dichloro-1-hydroxy-3-methyl-3H-indol-2-one has a molecular weight of 232.07 g/mol, XLogP of 2.83, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dichloro-1-hydroxy-3-methyl-3H-indol-2-one is sourced from PubChem (CID 10421432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).