4-chloro-2-iodopyrimidine-5-carbaldehyde

C5H2ClIN2O — CID 154968922

IUPAC4-chloro-2-iodopyrimidine-5-carbaldehyde
SMILESO=Cc1cnc(I)nc1Cl
InChIInChI=1S/C5H2ClIN2O/c6-4-3(2-10)1-8-5(7)9-4/h1-2H
InChIKeyYHMVFRDZGRIGBP-UHFFFAOYSA-N
MW268.44 g/mol
LogP1.55
Rot. Bonds1

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 Name4-chloro-2-iodopyrimidine-5-carbaldehyde
PubChem CID154968922
Molecular FormulaC5H2ClIN2O
Molecular Weight268.44 g/mol
Exact Mass267.89
IUPAC Name4-chloro-2-iodopyrimidine-5-carbaldehyde
SMILESO=Cc1cnc(I)nc1Cl
InChIInChI=1S/C5H2ClIN2O/c6-4-3(2-10)1-8-5(7)9-4/h1-2H
InChIKeyYHMVFRDZGRIGBP-UHFFFAOYSA-N
XLogP1.55
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 51.55
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 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).