3-iodo-1-methylindole-5-carbaldehyde

C10H8INO — CID 124908219

IUPAC3-iodo-1-methylindole-5-carbaldehyde
SMILESCn1cc(I)c2cc(C=O)ccc21
InChIInChI=1S/C10H8INO/c1-12-5-9(11)8-4-7(6-13)2-3-10(8)12/h2-6H,1H3
InChIKeyLNQVHVUMHKGJHT-UHFFFAOYSA-N
MW285.08 g/mol
LogP2.60
Rot. Bonds1

About 3-iodo-1-methylindole-5-carbaldehyde

3-iodo-1-methylindole-5-carbaldehyde (PubChem CID 124908219) has the molecular formula C10H8INO and a molecular weight of 285.08 g/mol. Its IUPAC name is 3-iodo-1-methylindole-5-carbaldehyde.

Molecular Properties

Compound Name3-iodo-1-methylindole-5-carbaldehyde
PubChem CID124908219
Molecular FormulaC10H8INO
Molecular Weight285.08 g/mol
Exact Mass284.97
IUPAC Name3-iodo-1-methylindole-5-carbaldehyde
SMILESCn1cc(I)c2cc(C=O)ccc21
InChIInChI=1S/C10H8INO/c1-12-5-9(11)8-4-7(6-13)2-3-10(8)12/h2-6H,1H3
InChIKeyLNQVHVUMHKGJHT-UHFFFAOYSA-N
XLogP2.60
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.08
LogP ≤ 52.60
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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Related Compounds

9-tert-butylcarbazole-3,6-dicarbaldehyde
CID 140847857
1,5-dimethylindole-3-carbaldehyde
CID 1419073
9-dodecylcarbazole-3,6-dicarbaldehyde
CID 22559825
1-methylpyrrolo[3,2-b]pyridine-6-carbaldehyde
CID 84716725
4-iodo-3-propan-2-ylbenzaldehyde
CID 22259703
3-chloro-1-propan-2-ylindole-5-carbaldehyde
CID 90356011
9-methyl-6-nitrocarbazole-3-carbaldehyde
CID 23559399
3-iodo-1-methyl-5-(5-methylpyrimidin-2-yl)indole
CID 137376067
1-benzyl-3-iodoindole-6-carbaldehyde
CID 124908072
3-iodo-1-methyl-5-(tetrazol-2-yl)indole
CID 137376129
9-propan-2-ylcarbazole-3-carbaldehyde
CID 16762077
1-methyl-5-trimethylsilylindole-3-carbaldehyde
CID 165354862

Frequently Asked Questions

What is the IUPAC name of 3-iodo-1-methylindole-5-carbaldehyde?
The IUPAC name of 3-iodo-1-methylindole-5-carbaldehyde (CID 124908219) is 3-iodo-1-methylindole-5-carbaldehyde.
What is the SMILES notation for 3-iodo-1-methylindole-5-carbaldehyde?
The canonical SMILES for 3-iodo-1-methylindole-5-carbaldehyde is Cn1cc(I)c2cc(C=O)ccc21.
What is the InChIKey of 3-iodo-1-methylindole-5-carbaldehyde?
The InChIKey is LNQVHVUMHKGJHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8INO/c1-12-5-9(11)8-4-7(6-13)2-3-10(8)12/h2-6H,1H3.
What are the key properties of 3-iodo-1-methylindole-5-carbaldehyde?
3-iodo-1-methylindole-5-carbaldehyde has a molecular weight of 285.08 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-methylindole-5-carbaldehyde is sourced from PubChem (CID 124908219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).