5-chloro-4-iodopyrimidine

C4H2ClIN2 — CID 112694385

IUPAC5-chloro-4-iodopyrimidine
SMILESClc1cncnc1I
InChIInChI=1S/C4H2ClIN2/c5-3-1-7-2-8-4(3)6/h1-2H
InChIKeyJXSSJBXCURDBHS-UHFFFAOYSA-N
MW240.43 g/mol
LogP1.73
Rot. Bonds

About 5-chloro-4-iodopyrimidine

5-chloro-4-iodopyrimidine (PubChem CID 112694385) has the molecular formula C4H2ClIN2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 5-chloro-4-iodopyrimidine.

Molecular Properties

Compound Name5-chloro-4-iodopyrimidine
PubChem CID112694385
Molecular FormulaC4H2ClIN2
Molecular Weight240.43 g/mol
Exact Mass239.90
IUPAC Name5-chloro-4-iodopyrimidine
SMILESClc1cncnc1I
InChIInChI=1S/C4H2ClIN2/c5-3-1-7-2-8-4(3)6/h1-2H
InChIKeyJXSSJBXCURDBHS-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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Related Compounds

4-iodopyrimidin-5-ol
CID 19597629
5-chloro-4-ethylpyrimidine
CID 19892100
4-(bromomethyl)-5-chloropyrimidine
CID 118464753
1-(5-chloropyrimidin-4-yl)cyclohexan-1-amine
CID 130545305
5-chloro-4-(2-chlorophenyl)pyrimidine
CID 105370973
2-(5-chloropyrimidin-4-yl)-3-methoxypyrazine
CID 105371526
4-(2-chlorophenyl)sulfanyl-5-iodopyrimidine
CID 66318492
5-chloro-N-(1H-imidazol-2-ylmethyl)pyrimidin-4-amine
CID 105369457
3-chloro-[1,2]oxazolo[4,3-d]pyrimidine
CID 70024939
1-(5-chloropyrimidin-4-yl)azepane;hydrochloride
CID 172880685
N-(3,5-dichloro-4-fluorophenyl)-5-iodopyrimidin-4-amine
CID 107577807
4-(4-chloro-3-methylpyrazol-1-yl)-5-iodopyrimidine
CID 66318434

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-iodopyrimidine?
The IUPAC name of 5-chloro-4-iodopyrimidine (CID 112694385) is 5-chloro-4-iodopyrimidine.
What is the SMILES notation for 5-chloro-4-iodopyrimidine?
The canonical SMILES for 5-chloro-4-iodopyrimidine is Clc1cncnc1I.
What is the InChIKey of 5-chloro-4-iodopyrimidine?
The InChIKey is JXSSJBXCURDBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClIN2/c5-3-1-7-2-8-4(3)6/h1-2H.
What are the key properties of 5-chloro-4-iodopyrimidine?
5-chloro-4-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 5-chloro-4-iodopyrimidine is sourced from PubChem (CID 112694385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).