4-chloro-2-(2,5-dichlorothiophen-3-yl)-5-iodopyrimidine

C8H2Cl3IN2S — CID 131186384

IUPAC4-chloro-2-(2,5-dichlorothiophen-3-yl)-5-iodopyrimidine
SMILESClc1cc(-c2ncc(I)c(Cl)n2)c(Cl)s1
InChIInChI=1S/C8H2Cl3IN2S/c9-5-1-3(7(11)15-5)8-13-2-4(12)6(10)14-8/h1-2H
InChIKeyCSVUBSHJNPLFFP-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.77
Rot. Bonds1

About 4-chloro-2-(2,5-dichlorothiophen-3-yl)-5-iodopyrimidine

4-chloro-2-(2,5-dichlorothiophen-3-yl)-5-iodopyrimidine (PubChem CID 131186384) has the molecular formula C8H2Cl3IN2S and a molecular weight of 391.45 g/mol. Its IUPAC name is 4-chloro-2-(2,5-dichlorothiophen-3-yl)-5-iodopyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,5-dichlorothiophen-3-yl)-5-iodopyrimidine
PubChem CID131186384
Molecular FormulaC8H2Cl3IN2S
Molecular Weight391.45 g/mol
Exact Mass389.80
IUPAC Name4-chloro-2-(2,5-dichlorothiophen-3-yl)-5-iodopyrimidine
SMILESClc1cc(-c2ncc(I)c(Cl)n2)c(Cl)s1
InChIInChI=1S/C8H2Cl3IN2S/c9-5-1-3(7(11)15-5)8-13-2-4(12)6(10)14-8/h1-2H
InChIKeyCSVUBSHJNPLFFP-UHFFFAOYSA-N
XLogP4.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(3,5-dichlorophenyl)-5-iodopyrimidine
CID 66313466
4-chloro-2-(2,6-dimethyl-4-pyridinyl)-5-iodopyrimidine
CID 107502289
2-(5-bromo-2-methoxyphenyl)-4-chloro-5-iodopyrimidine
CID 66312881
2-(4-bromophenyl)-4-chloro-5-iodopyrimidine
CID 66293475
4-chloro-5-iodo-2-pyrazin-2-ylpyrimidine
CID 66292658
7-bromo-4-chloro-2-(2,5-dichlorothiophen-3-yl)quinazoline
CID 114021122
4,5-dichloro-2-(2,5-dichlorothiophen-3-yl)-8-fluoroquinazoline
CID 107960395
[2-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-5-yl]methanol
CID 130713176
4-chloro-5-iodo-2-(6-methoxypyridazin-3-yl)pyrimidine
CID 103373064
2-(2,5-dichlorothiophen-3-yl)-1,3-thiazole-5-carbaldehyde
CID 130655979
4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-amine
CID 959110
4-chloro-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-5-iodopyrimidine
CID 66313071

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,5-dichlorothiophen-3-yl)-5-iodopyrimidine?
The IUPAC name of 4-chloro-2-(2,5-dichlorothiophen-3-yl)-5-iodopyrimidine (CID 131186384) is 4-chloro-2-(2,5-dichlorothiophen-3-yl)-5-iodopyrimidine.
What is the SMILES notation for 4-chloro-2-(2,5-dichlorothiophen-3-yl)-5-iodopyrimidine?
The canonical SMILES for 4-chloro-2-(2,5-dichlorothiophen-3-yl)-5-iodopyrimidine is Clc1cc(-c2ncc(I)c(Cl)n2)c(Cl)s1.
What is the InChIKey of 4-chloro-2-(2,5-dichlorothiophen-3-yl)-5-iodopyrimidine?
The InChIKey is CSVUBSHJNPLFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2Cl3IN2S/c9-5-1-3(7(11)15-5)8-13-2-4(12)6(10)14-8/h1-2H.
What are the key properties of 4-chloro-2-(2,5-dichlorothiophen-3-yl)-5-iodopyrimidine?
4-chloro-2-(2,5-dichlorothiophen-3-yl)-5-iodopyrimidine has a molecular weight of 391.45 g/mol, XLogP of 4.77, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,5-dichlorothiophen-3-yl)-5-iodopyrimidine is sourced from PubChem (CID 131186384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).