4-iodo-2-methyl-1H-indole-3-carbaldehyde

C10H8INO — CID 12541890

IUPAC4-iodo-2-methyl-1H-indole-3-carbaldehyde
SMILESCc1[nH]c2cccc(I)c2c1C=O
InChIInChI=1S/C10H8INO/c1-6-7(5-13)10-8(11)3-2-4-9(10)12-6/h2-5,12H,1H3
InChIKeyVALPPANAUQMXHO-UHFFFAOYSA-N
MW285.08 g/mol
LogP2.89
Rot. Bonds1

About 4-iodo-2-methyl-1H-indole-3-carbaldehyde

4-iodo-2-methyl-1H-indole-3-carbaldehyde (PubChem CID 12541890) has the molecular formula C10H8INO and a molecular weight of 285.08 g/mol. Its IUPAC name is 4-iodo-2-methyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name4-iodo-2-methyl-1H-indole-3-carbaldehyde
PubChem CID12541890
Molecular FormulaC10H8INO
Molecular Weight285.08 g/mol
Exact Mass284.97
IUPAC Name4-iodo-2-methyl-1H-indole-3-carbaldehyde
SMILESCc1[nH]c2cccc(I)c2c1C=O
InChIInChI=1S/C10H8INO/c1-6-7(5-13)10-8(11)3-2-4-9(10)12-6/h2-5,12H,1H3
InChIKeyVALPPANAUQMXHO-UHFFFAOYSA-N
XLogP2.89
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.08
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 4-iodo-2-methyl-1H-indole-3-carbaldehyde?
The IUPAC name of 4-iodo-2-methyl-1H-indole-3-carbaldehyde (CID 12541890) is 4-iodo-2-methyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 4-iodo-2-methyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 4-iodo-2-methyl-1H-indole-3-carbaldehyde is Cc1[nH]c2cccc(I)c2c1C=O.
What is the InChIKey of 4-iodo-2-methyl-1H-indole-3-carbaldehyde?
The InChIKey is VALPPANAUQMXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8INO/c1-6-7(5-13)10-8(11)3-2-4-9(10)12-6/h2-5,12H,1H3.
What are the key properties of 4-iodo-2-methyl-1H-indole-3-carbaldehyde?
4-iodo-2-methyl-1H-indole-3-carbaldehyde has a molecular weight of 285.08 g/mol, XLogP of 2.89, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-iodo-2-methyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 12541890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).