4-chloro-5-iodopyrimidine

C4H2ClIN2 — CID 11230204

IUPAC4-chloro-5-iodopyrimidine
SMILESClc1ncncc1I
InChIInChI=1S/C4H2ClIN2/c5-4-3(6)1-7-2-8-4/h1-2H
InChIKeyBIWOQXBVRYUITN-UHFFFAOYSA-N
MW240.43 g/mol
LogP1.73
Rot. Bonds

About 4-chloro-5-iodopyrimidine

4-chloro-5-iodopyrimidine (PubChem CID 11230204) has the molecular formula C4H2ClIN2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 4-chloro-5-iodopyrimidine.

Molecular Properties

Compound Name4-chloro-5-iodopyrimidine
PubChem CID11230204
Molecular FormulaC4H2ClIN2
Molecular Weight240.43 g/mol
Exact Mass239.90
IUPAC Name4-chloro-5-iodopyrimidine
SMILESClc1ncncc1I
InChIInChI=1S/C4H2ClIN2/c5-4-3(6)1-7-2-8-4/h1-2H
InChIKeyBIWOQXBVRYUITN-UHFFFAOYSA-N
XLogP1.73
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 51.73
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-5-iodopyrimidine?
The IUPAC name of 4-chloro-5-iodopyrimidine (CID 11230204) is 4-chloro-5-iodopyrimidine.
What is the SMILES notation for 4-chloro-5-iodopyrimidine?
The canonical SMILES for 4-chloro-5-iodopyrimidine is Clc1ncncc1I.
What is the InChIKey of 4-chloro-5-iodopyrimidine?
The InChIKey is BIWOQXBVRYUITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClIN2/c5-4-3(6)1-7-2-8-4/h1-2H.
What are the key properties of 4-chloro-5-iodopyrimidine?
4-chloro-5-iodopyrimidine has a molecular weight of 240.43 g/mol, XLogP of 1.73, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-iodopyrimidine is sourced from PubChem (CID 11230204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).