7-iodo-5-nitro-1H-indole-2,3-dione

C8H3IN2O4 — CID 119089932

IUPAC7-iodo-5-nitro-1H-indole-2,3-dione
SMILESO=C1Nc2c(I)cc([N+](=O)[O-])cc2C1=O
InChIInChI=1S/C8H3IN2O4/c9-5-2-3(11(14)15)1-4-6(5)10-8(13)7(4)12/h1-2H,(H,10,12,13)
InChIKeySNWWAKPPNSDKHR-UHFFFAOYSA-N
MW318.03 g/mol
LogP1.33
Rot. Bonds1

About 7-iodo-5-nitro-1H-indole-2,3-dione

7-iodo-5-nitro-1H-indole-2,3-dione (PubChem CID 119089932) has the molecular formula C8H3IN2O4 and a molecular weight of 318.03 g/mol. Its IUPAC name is 7-iodo-5-nitro-1H-indole-2,3-dione.

Molecular Properties

Compound Name7-iodo-5-nitro-1H-indole-2,3-dione
PubChem CID119089932
Molecular FormulaC8H3IN2O4
Molecular Weight318.03 g/mol
Exact Mass317.91
IUPAC Name7-iodo-5-nitro-1H-indole-2,3-dione
SMILESO=C1Nc2c(I)cc([N+](=O)[O-])cc2C1=O
InChIInChI=1S/C8H3IN2O4/c9-5-2-3(11(14)15)1-4-6(5)10-8(13)7(4)12/h1-2H,(H,10,12,13)
InChIKeySNWWAKPPNSDKHR-UHFFFAOYSA-N
XLogP1.33
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.03
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-iodo-5-nitro-1H-indole-2,3-dione?
The IUPAC name of 7-iodo-5-nitro-1H-indole-2,3-dione (CID 119089932) is 7-iodo-5-nitro-1H-indole-2,3-dione.
What is the SMILES notation for 7-iodo-5-nitro-1H-indole-2,3-dione?
The canonical SMILES for 7-iodo-5-nitro-1H-indole-2,3-dione is O=C1Nc2c(I)cc([N+](=O)[O-])cc2C1=O.
What is the InChIKey of 7-iodo-5-nitro-1H-indole-2,3-dione?
The InChIKey is SNWWAKPPNSDKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3IN2O4/c9-5-2-3(11(14)15)1-4-6(5)10-8(13)7(4)12/h1-2H,(H,10,12,13).
What are the key properties of 7-iodo-5-nitro-1H-indole-2,3-dione?
7-iodo-5-nitro-1H-indole-2,3-dione has a molecular weight of 318.03 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-5-nitro-1H-indole-2,3-dione is sourced from PubChem (CID 119089932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).