4-chloro-2-(3,5-dichlorophenyl)-5-iodopyrimidine

C10H4Cl3IN2 — CID 66313466

IUPAC4-chloro-2-(3,5-dichlorophenyl)-5-iodopyrimidine
SMILESClc1cc(Cl)cc(-c2ncc(I)c(Cl)n2)c1
InChIInChI=1S/C10H4Cl3IN2/c11-6-1-5(2-7(12)3-6)10-15-4-8(14)9(13)16-10/h1-4H
InChIKeyITQPFKSDNPYQCE-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.71
Rot. Bonds1

About 4-chloro-2-(3,5-dichlorophenyl)-5-iodopyrimidine

4-chloro-2-(3,5-dichlorophenyl)-5-iodopyrimidine (PubChem CID 66313466) has the molecular formula C10H4Cl3IN2 and a molecular weight of 385.42 g/mol. Its IUPAC name is 4-chloro-2-(3,5-dichlorophenyl)-5-iodopyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3,5-dichlorophenyl)-5-iodopyrimidine
PubChem CID66313466
Molecular FormulaC10H4Cl3IN2
Molecular Weight385.42 g/mol
Exact Mass383.85
IUPAC Name4-chloro-2-(3,5-dichlorophenyl)-5-iodopyrimidine
SMILESClc1cc(Cl)cc(-c2ncc(I)c(Cl)n2)c1
InChIInChI=1S/C10H4Cl3IN2/c11-6-1-5(2-7(12)3-6)10-15-4-8(14)9(13)16-10/h1-4H
InChIKeyITQPFKSDNPYQCE-UHFFFAOYSA-N
XLogP4.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.71
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

CID 2735804
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CID 24894086
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CID 23423601
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CID 4882447
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CID 259157
CID 259157
CID 44435041
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CID 13739869
CID 13739869
CID 2755772
CID 2755772
CID 14999845
CID 14999845
CID 782784
CID 782784
CID 132631
CID 132631
CID 44531127
CID 44531127

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3,5-dichlorophenyl)-5-iodopyrimidine?
The IUPAC name of 4-chloro-2-(3,5-dichlorophenyl)-5-iodopyrimidine (CID 66313466) is 4-chloro-2-(3,5-dichlorophenyl)-5-iodopyrimidine.
What is the SMILES notation for 4-chloro-2-(3,5-dichlorophenyl)-5-iodopyrimidine?
The canonical SMILES for 4-chloro-2-(3,5-dichlorophenyl)-5-iodopyrimidine is Clc1cc(Cl)cc(-c2ncc(I)c(Cl)n2)c1.
What is the InChIKey of 4-chloro-2-(3,5-dichlorophenyl)-5-iodopyrimidine?
The InChIKey is ITQPFKSDNPYQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl3IN2/c11-6-1-5(2-7(12)3-6)10-15-4-8(14)9(13)16-10/h1-4H.
What are the key properties of 4-chloro-2-(3,5-dichlorophenyl)-5-iodopyrimidine?
4-chloro-2-(3,5-dichlorophenyl)-5-iodopyrimidine has a molecular weight of 385.42 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,5-dichlorophenyl)-5-iodopyrimidine is sourced from PubChem (CID 66313466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).