4-Chloro-2-iodopyrimidine-5-carbaldehyde

C₅H₂ClIN₂O — CID 154968922

About 4-Chloro-2-iodopyrimidine-5-carbaldehyde

4-Chloro-2-iodopyrimidine-5-carbaldehyde (PubChem CID 154968922) has the molecular formula C₅H₂ClIN₂O and a molecular weight of 268.44 g/mol. Its IUPAC name is 4-chloro-2-iodopyrimidine-5-carbaldehyde.

Molecular Properties

• Compound Name: 4-Chloro-2-iodopyrimidine-5-carbaldehyde
• PubChem CID: 154968922
• Molecular Formula: C₅H₂ClIN₂O
• Molecular Weight: 268.44 g/mol
• Exact Mass: 267.89
• IUPAC Name: 4-chloro-2-iodopyrimidine-5-carbaldehyde
• SMILES: O=Cc1cnc(I)nc1Cl
• InChI: InChI=1S/C5H2ClIN2O/c6-4-3(2-10)1-8-5(7)9-4/h1-2H
• InChIKey: YHMVFRDZGRIGBP-UHFFFAOYSA-N
• XLogP: 1.55
• TPSA: 42.85 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 1
• Heavy Atoms: 10
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	268.44
LogP ≤ 5	1.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-Chloro-2-iodopyrimidine-5-carbaldehyde?

The IUPAC name of 4-Chloro-2-iodopyrimidine-5-carbaldehyde (CID 154968922) is 4-chloro-2-iodopyrimidine-5-carbaldehyde.

What is the SMILES notation for 4-Chloro-2-iodopyrimidine-5-carbaldehyde?

The canonical SMILES for 4-Chloro-2-iodopyrimidine-5-carbaldehyde is O=Cc1cnc(I)nc1Cl.

What is the InChIKey of 4-Chloro-2-iodopyrimidine-5-carbaldehyde?

The InChIKey is YHMVFRDZGRIGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2ClIN2O/c6-4-3(2-10)1-8-5(7)9-4/h1-2H.

What are the key properties of 4-Chloro-2-iodopyrimidine-5-carbaldehyde?

4-Chloro-2-iodopyrimidine-5-carbaldehyde has a molecular weight of 268.44 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-Chloro-2-iodopyrimidine-5-carbaldehyde is sourced from PubChem (CID 154968922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154968922 — identifiers, structure, computed properties (public domain)

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