5-iodo-1,2-dimethylindole-3-carbaldehyde

C11H10INO — CID 97035776

IUPAC5-iodo-1,2-dimethylindole-3-carbaldehyde
SMILESCc1c(C=O)c2cc(I)ccc2n1C
InChIInChI=1S/C11H10INO/c1-7-10(6-14)9-5-8(12)3-4-11(9)13(7)2/h3-6H,1-2H3
InChIKeyZGNXPUCHVFEJCV-UHFFFAOYSA-N
MW299.11 g/mol
LogP2.90
Rot. Bonds1

About 5-iodo-1,2-dimethylindole-3-carbaldehyde

5-iodo-1,2-dimethylindole-3-carbaldehyde (PubChem CID 97035776) has the molecular formula C11H10INO and a molecular weight of 299.11 g/mol. Its IUPAC name is 5-iodo-1,2-dimethylindole-3-carbaldehyde.

Molecular Properties

Compound Name5-iodo-1,2-dimethylindole-3-carbaldehyde
PubChem CID97035776
Molecular FormulaC11H10INO
Molecular Weight299.11 g/mol
Exact Mass298.98
IUPAC Name5-iodo-1,2-dimethylindole-3-carbaldehyde
SMILESCc1c(C=O)c2cc(I)ccc2n1C
InChIInChI=1S/C11H10INO/c1-7-10(6-14)9-5-8(12)3-4-11(9)13(7)2/h3-6H,1-2H3
InChIKeyZGNXPUCHVFEJCV-UHFFFAOYSA-N
XLogP2.90
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-1,2-dimethylindole-3-carbaldehyde?
The IUPAC name of 5-iodo-1,2-dimethylindole-3-carbaldehyde (CID 97035776) is 5-iodo-1,2-dimethylindole-3-carbaldehyde.
What is the SMILES notation for 5-iodo-1,2-dimethylindole-3-carbaldehyde?
The canonical SMILES for 5-iodo-1,2-dimethylindole-3-carbaldehyde is Cc1c(C=O)c2cc(I)ccc2n1C.
What is the InChIKey of 5-iodo-1,2-dimethylindole-3-carbaldehyde?
The InChIKey is ZGNXPUCHVFEJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10INO/c1-7-10(6-14)9-5-8(12)3-4-11(9)13(7)2/h3-6H,1-2H3.
What are the key properties of 5-iodo-1,2-dimethylindole-3-carbaldehyde?
5-iodo-1,2-dimethylindole-3-carbaldehyde has a molecular weight of 299.11 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-1,2-dimethylindole-3-carbaldehyde is sourced from PubChem (CID 97035776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).