1-(2-iodophenyl)isoquinoline-3-carbaldehyde

C16H10INO — CID 19601656

IUPAC1-(2-iodophenyl)isoquinoline-3-carbaldehyde
SMILESO=Cc1cc2ccccc2c(-c2ccccc2I)n1
InChIInChI=1S/C16H10INO/c17-15-8-4-3-7-14(15)16-13-6-2-1-5-11(13)9-12(10-19)18-16/h1-10H
InChIKeyZKOLUUVGPCXYLI-UHFFFAOYSA-N
MW359.17 g/mol
LogP4.32
Rot. Bonds2

About 1-(2-iodophenyl)isoquinoline-3-carbaldehyde

1-(2-iodophenyl)isoquinoline-3-carbaldehyde (PubChem CID 19601656) has the molecular formula C16H10INO and a molecular weight of 359.17 g/mol. Its IUPAC name is 1-(2-iodophenyl)isoquinoline-3-carbaldehyde.

Molecular Properties

Compound Name1-(2-iodophenyl)isoquinoline-3-carbaldehyde
PubChem CID19601656
Molecular FormulaC16H10INO
Molecular Weight359.17 g/mol
Exact Mass358.98
IUPAC Name1-(2-iodophenyl)isoquinoline-3-carbaldehyde
SMILESO=Cc1cc2ccccc2c(-c2ccccc2I)n1
InChIInChI=1S/C16H10INO/c17-15-8-4-3-7-14(15)16-13-6-2-1-5-11(13)9-12(10-19)18-16/h1-10H
InChIKeyZKOLUUVGPCXYLI-UHFFFAOYSA-N
XLogP4.32
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.17
LogP ≤ 54.32
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 1-(2-iodophenyl)isoquinoline-3-carbaldehyde?
The IUPAC name of 1-(2-iodophenyl)isoquinoline-3-carbaldehyde (CID 19601656) is 1-(2-iodophenyl)isoquinoline-3-carbaldehyde.
What is the SMILES notation for 1-(2-iodophenyl)isoquinoline-3-carbaldehyde?
The canonical SMILES for 1-(2-iodophenyl)isoquinoline-3-carbaldehyde is O=Cc1cc2ccccc2c(-c2ccccc2I)n1.
What is the InChIKey of 1-(2-iodophenyl)isoquinoline-3-carbaldehyde?
The InChIKey is ZKOLUUVGPCXYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10INO/c17-15-8-4-3-7-14(15)16-13-6-2-1-5-11(13)9-12(10-19)18-16/h1-10H.
What are the key properties of 1-(2-iodophenyl)isoquinoline-3-carbaldehyde?
1-(2-iodophenyl)isoquinoline-3-carbaldehyde has a molecular weight of 359.17 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-iodophenyl)isoquinoline-3-carbaldehyde is sourced from PubChem (CID 19601656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).