4-chloro-7-hydroxy-1H-indole-2,3-dione

C8H4ClNO3 — CID 118636391

IUPAC4-chloro-7-hydroxy-1H-indole-2,3-dione
SMILESO=C1Nc2c(O)ccc(Cl)c2C1=O
InChIInChI=1S/C8H4ClNO3/c9-3-1-2-4(11)6-5(3)7(12)8(13)10-6/h1-2,11H,(H,10,12,13)
InChIKeyRDKYCCCDNSNIDF-UHFFFAOYSA-N
MW197.58 g/mol
LogP1.18
Rot. Bonds

About 4-chloro-7-hydroxy-1H-indole-2,3-dione

4-chloro-7-hydroxy-1H-indole-2,3-dione (PubChem CID 118636391) has the molecular formula C8H4ClNO3 and a molecular weight of 197.58 g/mol. Its IUPAC name is 4-chloro-7-hydroxy-1H-indole-2,3-dione.

Molecular Properties

Compound Name4-chloro-7-hydroxy-1H-indole-2,3-dione
PubChem CID118636391
Molecular FormulaC8H4ClNO3
Molecular Weight197.58 g/mol
Exact Mass196.99
IUPAC Name4-chloro-7-hydroxy-1H-indole-2,3-dione
SMILESO=C1Nc2c(O)ccc(Cl)c2C1=O
InChIInChI=1S/C8H4ClNO3/c9-3-1-2-4(11)6-5(3)7(12)8(13)10-6/h1-2,11H,(H,10,12,13)
InChIKeyRDKYCCCDNSNIDF-UHFFFAOYSA-N
XLogP1.18
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.58
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-7-methoxy-1H-indole-2,3-dione
CID 12511940
4-chloro-7-nitro-1H-indole-2,3-dione
CID 18070554
7-chloro-4-(trifluoromethyl)-1H-indole-2,3-dione
CID 16787437
4-chloro-6,7-difluoro-1H-indole-2,3-dione
CID 164645941
6,7-dichloro-1H-indole-2,3-dione
CID 16786802
7-chloro-1H-indole-2,3-dione
CID 139078100
5-chloro-8-hydroxy-2-methylnaphthalene-1,4-dione
CID 71324480
4-chloro-7-hydroxy-2,3-dihydroinden-1-one
CID 12857254
7-methyl-2,3-dioxo-1H-indole-4-carboxylic acid
CID 50850653
4-chloro-7-methoxyisoindole-1,3-dione
CID 86201786
5-chloro-8-hydroxy-4H-1,4-benzoxazin-3-one
CID 137370152
4,5-dichloroisoindole-1,3-dione
CID 14948820

Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-hydroxy-1H-indole-2,3-dione?
The IUPAC name of 4-chloro-7-hydroxy-1H-indole-2,3-dione (CID 118636391) is 4-chloro-7-hydroxy-1H-indole-2,3-dione.
What is the SMILES notation for 4-chloro-7-hydroxy-1H-indole-2,3-dione?
The canonical SMILES for 4-chloro-7-hydroxy-1H-indole-2,3-dione is O=C1Nc2c(O)ccc(Cl)c2C1=O.
What is the InChIKey of 4-chloro-7-hydroxy-1H-indole-2,3-dione?
The InChIKey is RDKYCCCDNSNIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClNO3/c9-3-1-2-4(11)6-5(3)7(12)8(13)10-6/h1-2,11H,(H,10,12,13).
What are the key properties of 4-chloro-7-hydroxy-1H-indole-2,3-dione?
4-chloro-7-hydroxy-1H-indole-2,3-dione has a molecular weight of 197.58 g/mol, XLogP of 1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-hydroxy-1H-indole-2,3-dione is sourced from PubChem (CID 118636391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).