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

C16H8Cl2N2O4 — CID 139078100

IUPAC7-chloro-1H-indole-2,3-dione
SMILESO=C1Nc2c(Cl)cccc2C1=O.O=C1Nc2c(Cl)cccc2C1=O
InChIInChI=1S/2C8H4ClNO2/c2*9-5-3-1-2-4-6(5)10-8(12)7(4)11/h2*1-3H,(H,10,11,12)
InChIKeyOTOKVOJEINGIBY-UHFFFAOYSA-N
MW363.16 g/mol
LogP2.95
Rot. Bonds

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

7-chloro-1H-indole-2,3-dione (PubChem CID 139078100) has the molecular formula C16H8Cl2N2O4 and a molecular weight of 363.16 g/mol. Its IUPAC name is 7-chloro-1H-indole-2,3-dione.

Molecular Properties

Compound Name7-chloro-1H-indole-2,3-dione
PubChem CID139078100
Molecular FormulaC16H8Cl2N2O4
Molecular Weight363.16 g/mol
Exact Mass361.99
IUPAC Name7-chloro-1H-indole-2,3-dione
SMILESO=C1Nc2c(Cl)cccc2C1=O.O=C1Nc2c(Cl)cccc2C1=O
InChIInChI=1S/2C8H4ClNO2/c2*9-5-3-1-2-4-6(5)10-8(12)7(4)11/h2*1-3H,(H,10,11,12)
InChIKeyOTOKVOJEINGIBY-UHFFFAOYSA-N
XLogP2.95
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.16
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5,7-Dichloro-1H-indole-2,3-dione
CID 80771
4,7-Dichloroisatin
CID 2734793
5-chloro-1H-indole-2,3-dione
CID 87203
7-Chloroisatin
CID 344135
6,7-Dichloroisatin
CID 16786802
5-chloro-7-methyl-2,3-dihydro-1H-indole-2,3-dione
CID 366710
7-Chloro-1-methyl-1H-indole-2,3-dione
CID 11845968
(E)-5-(3-Chlorostyryl)isatin
CID 44575103
5-chloro-1-(2-phenylethyl)-1H-indole-2,3-dione
CID 2930041
1-benzyl-5-chloro-2,3-dihydro-1H-indole-2,3-dione
CID 3704739
5-Chloro-1-(3-phenylprop-2-en-1-yl)-2,3-dihydro-1H-indole-2,3-dione
CID 28492659
(E)-4-chloro-3-(2-(3-chlorophenyl)-2-oxoethylidene)indolin-2-one
CID 54585688

Frequently Asked Questions

What is the IUPAC name of 7-chloro-1H-indole-2,3-dione?
The IUPAC name of 7-chloro-1H-indole-2,3-dione (CID 139078100) is 7-chloro-1H-indole-2,3-dione.
What is the SMILES notation for 7-chloro-1H-indole-2,3-dione?
The canonical SMILES for 7-chloro-1H-indole-2,3-dione is O=C1Nc2c(Cl)cccc2C1=O.O=C1Nc2c(Cl)cccc2C1=O.
What is the InChIKey of 7-chloro-1H-indole-2,3-dione?
The InChIKey is OTOKVOJEINGIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H4ClNO2/c2*9-5-3-1-2-4-6(5)10-8(12)7(4)11/h2*1-3H,(H,10,11,12).
What are the key properties of 7-chloro-1H-indole-2,3-dione?
7-chloro-1H-indole-2,3-dione has a molecular weight of 363.16 g/mol, XLogP of 2.95, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-1H-indole-2,3-dione is sourced from PubChem (CID 139078100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).