2,3-dioxo-1H-indole-5-carbonyl chloride

C9H4ClNO3 — CID 58833990

IUPAC2,3-dioxo-1H-indole-5-carbonyl chloride
SMILESO=C1Nc2ccc(C(=O)Cl)cc2C1=O
InChIInChI=1S/C9H4ClNO3/c10-8(13)4-1-2-6-5(3-4)7(12)9(14)11-6/h1-3H,(H,11,12,14)
InChIKeySLOUIBXNAMNTRZ-UHFFFAOYSA-N
MW209.59 g/mol
LogP1.20
Rot. Bonds1

About 2,3-dioxo-1H-indole-5-carbonyl chloride

2,3-dioxo-1H-indole-5-carbonyl chloride (PubChem CID 58833990) has the molecular formula C9H4ClNO3 and a molecular weight of 209.59 g/mol. Its IUPAC name is 2,3-dioxo-1H-indole-5-carbonyl chloride.

Molecular Properties

Compound Name2,3-dioxo-1H-indole-5-carbonyl chloride
PubChem CID58833990
Molecular FormulaC9H4ClNO3
Molecular Weight209.59 g/mol
Exact Mass208.99
IUPAC Name2,3-dioxo-1H-indole-5-carbonyl chloride
SMILESO=C1Nc2ccc(C(=O)Cl)cc2C1=O
InChIInChI=1S/C9H4ClNO3/c10-8(13)4-1-2-6-5(3-4)7(12)9(14)11-6/h1-3H,(H,11,12,14)
InChIKeySLOUIBXNAMNTRZ-UHFFFAOYSA-N
XLogP1.20
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.59
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dioxo-1H-indole-5-carbonyl chloride?
The IUPAC name of 2,3-dioxo-1H-indole-5-carbonyl chloride (CID 58833990) is 2,3-dioxo-1H-indole-5-carbonyl chloride.
What is the SMILES notation for 2,3-dioxo-1H-indole-5-carbonyl chloride?
The canonical SMILES for 2,3-dioxo-1H-indole-5-carbonyl chloride is O=C1Nc2ccc(C(=O)Cl)cc2C1=O.
What is the InChIKey of 2,3-dioxo-1H-indole-5-carbonyl chloride?
The InChIKey is SLOUIBXNAMNTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClNO3/c10-8(13)4-1-2-6-5(3-4)7(12)9(14)11-6/h1-3H,(H,11,12,14).
What are the key properties of 2,3-dioxo-1H-indole-5-carbonyl chloride?
2,3-dioxo-1H-indole-5-carbonyl chloride has a molecular weight of 209.59 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dioxo-1H-indole-5-carbonyl chloride is sourced from PubChem (CID 58833990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).