4-chloro-2-cyclopropyl-5-iodopyrimidine

C7H6ClIN2 — CID 66292052

IUPAC4-chloro-2-cyclopropyl-5-iodopyrimidine
SMILESClc1nc(C2CC2)ncc1I
InChIInChI=1S/C7H6ClIN2/c8-6-5(9)3-10-7(11-6)4-1-2-4/h3-4H,1-2H2
InChIKeyFQWIBPIXVCNJEU-UHFFFAOYSA-N
MW280.50 g/mol
LogP2.61
Rot. Bonds1

About 4-chloro-2-cyclopropyl-5-iodopyrimidine

4-chloro-2-cyclopropyl-5-iodopyrimidine (PubChem CID 66292052) has the molecular formula C7H6ClIN2 and a molecular weight of 280.50 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-5-iodopyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-5-iodopyrimidine
PubChem CID66292052
Molecular FormulaC7H6ClIN2
Molecular Weight280.50 g/mol
Exact Mass279.93
IUPAC Name4-chloro-2-cyclopropyl-5-iodopyrimidine
SMILESClc1nc(C2CC2)ncc1I
InChIInChI=1S/C7H6ClIN2/c8-6-5(9)3-10-7(11-6)4-1-2-4/h3-4H,1-2H2
InChIKeyFQWIBPIXVCNJEU-UHFFFAOYSA-N
XLogP2.61
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.50
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclopropyl-5-iodopyrimidine?
The IUPAC name of 4-chloro-2-cyclopropyl-5-iodopyrimidine (CID 66292052) is 4-chloro-2-cyclopropyl-5-iodopyrimidine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-5-iodopyrimidine?
The canonical SMILES for 4-chloro-2-cyclopropyl-5-iodopyrimidine is Clc1nc(C2CC2)ncc1I.
What is the InChIKey of 4-chloro-2-cyclopropyl-5-iodopyrimidine?
The InChIKey is FQWIBPIXVCNJEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClIN2/c8-6-5(9)3-10-7(11-6)4-1-2-4/h3-4H,1-2H2.
What are the key properties of 4-chloro-2-cyclopropyl-5-iodopyrimidine?
4-chloro-2-cyclopropyl-5-iodopyrimidine has a molecular weight of 280.50 g/mol, XLogP of 2.61, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-5-iodopyrimidine is sourced from PubChem (CID 66292052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).