1-(2-chloro-5-iodobenzoyl)-2-methylindole-3-carbaldehyde

C17H11ClINO2 — CID 91690511

IUPAC1-(2-chloro-5-iodobenzoyl)-2-methylindole-3-carbaldehyde
SMILESCc1c(C=O)c2ccccc2n1C(=O)c1cc(I)ccc1Cl
InChIInChI=1S/C17H11ClINO2/c1-10-14(9-21)12-4-2-3-5-16(12)20(10)17(22)13-8-11(19)6-7-15(13)18/h2-9H,1H3
InChIKeyGOKPNJKPQYYWRZ-UHFFFAOYSA-N
MW423.64 g/mol
LogP4.71
Rot. Bonds2

About 1-(2-chloro-5-iodobenzoyl)-2-methylindole-3-carbaldehyde

1-(2-chloro-5-iodobenzoyl)-2-methylindole-3-carbaldehyde (PubChem CID 91690511) has the molecular formula C17H11ClINO2 and a molecular weight of 423.64 g/mol. Its IUPAC name is 1-(2-chloro-5-iodobenzoyl)-2-methylindole-3-carbaldehyde.

Molecular Properties

Compound Name1-(2-chloro-5-iodobenzoyl)-2-methylindole-3-carbaldehyde
PubChem CID91690511
Molecular FormulaC17H11ClINO2
Molecular Weight423.64 g/mol
Exact Mass422.95
IUPAC Name1-(2-chloro-5-iodobenzoyl)-2-methylindole-3-carbaldehyde
SMILESCc1c(C=O)c2ccccc2n1C(=O)c1cc(I)ccc1Cl
InChIInChI=1S/C17H11ClINO2/c1-10-14(9-21)12-4-2-3-5-16(12)20(10)17(22)13-8-11(19)6-7-15(13)18/h2-9H,1H3
InChIKeyGOKPNJKPQYYWRZ-UHFFFAOYSA-N
XLogP4.71
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.64
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1-(2-chloro-5-iodobenzoyl)-2-methylindole-3-carbaldehyde?
The IUPAC name of 1-(2-chloro-5-iodobenzoyl)-2-methylindole-3-carbaldehyde (CID 91690511) is 1-(2-chloro-5-iodobenzoyl)-2-methylindole-3-carbaldehyde.
What is the SMILES notation for 1-(2-chloro-5-iodobenzoyl)-2-methylindole-3-carbaldehyde?
The canonical SMILES for 1-(2-chloro-5-iodobenzoyl)-2-methylindole-3-carbaldehyde is Cc1c(C=O)c2ccccc2n1C(=O)c1cc(I)ccc1Cl.
What is the InChIKey of 1-(2-chloro-5-iodobenzoyl)-2-methylindole-3-carbaldehyde?
The InChIKey is GOKPNJKPQYYWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClINO2/c1-10-14(9-21)12-4-2-3-5-16(12)20(10)17(22)13-8-11(19)6-7-15(13)18/h2-9H,1H3.
What are the key properties of 1-(2-chloro-5-iodobenzoyl)-2-methylindole-3-carbaldehyde?
1-(2-chloro-5-iodobenzoyl)-2-methylindole-3-carbaldehyde has a molecular weight of 423.64 g/mol, XLogP of 4.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-5-iodobenzoyl)-2-methylindole-3-carbaldehyde is sourced from PubChem (CID 91690511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).