4,6-dichloro-5-iodo-2-(3-methylphenyl)pyrimidine

C11H7Cl2IN2 — CID 66316828

IUPAC4,6-dichloro-5-iodo-2-(3-methylphenyl)pyrimidine
SMILESCc1cccc(-c2nc(Cl)c(I)c(Cl)n2)c1
InChIInChI=1S/C11H7Cl2IN2/c1-6-3-2-4-7(5-6)11-15-9(12)8(14)10(13)16-11/h2-5H,1H3
InChIKeyYIOVLLWLBFFLFP-UHFFFAOYSA-N
MW365.00 g/mol
LogP4.36
Rot. Bonds1

About 4,6-dichloro-5-iodo-2-(3-methylphenyl)pyrimidine

4,6-dichloro-5-iodo-2-(3-methylphenyl)pyrimidine (PubChem CID 66316828) has the molecular formula C11H7Cl2IN2 and a molecular weight of 365.00 g/mol. Its IUPAC name is 4,6-dichloro-5-iodo-2-(3-methylphenyl)pyrimidine.

Molecular Properties

Compound Name4,6-dichloro-5-iodo-2-(3-methylphenyl)pyrimidine
PubChem CID66316828
Molecular FormulaC11H7Cl2IN2
Molecular Weight365.00 g/mol
Exact Mass363.90
IUPAC Name4,6-dichloro-5-iodo-2-(3-methylphenyl)pyrimidine
SMILESCc1cccc(-c2nc(Cl)c(I)c(Cl)n2)c1
InChIInChI=1S/C11H7Cl2IN2/c1-6-3-2-4-7(5-6)11-15-9(12)8(14)10(13)16-11/h2-5H,1H3
InChIKeyYIOVLLWLBFFLFP-UHFFFAOYSA-N
XLogP4.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.00
LogP ≤ 54.36
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 4,6-dichloro-5-iodo-2-(3-methylphenyl)pyrimidine?
The IUPAC name of 4,6-dichloro-5-iodo-2-(3-methylphenyl)pyrimidine (CID 66316828) is 4,6-dichloro-5-iodo-2-(3-methylphenyl)pyrimidine.
What is the SMILES notation for 4,6-dichloro-5-iodo-2-(3-methylphenyl)pyrimidine?
The canonical SMILES for 4,6-dichloro-5-iodo-2-(3-methylphenyl)pyrimidine is Cc1cccc(-c2nc(Cl)c(I)c(Cl)n2)c1.
What is the InChIKey of 4,6-dichloro-5-iodo-2-(3-methylphenyl)pyrimidine?
The InChIKey is YIOVLLWLBFFLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2IN2/c1-6-3-2-4-7(5-6)11-15-9(12)8(14)10(13)16-11/h2-5H,1H3.
What are the key properties of 4,6-dichloro-5-iodo-2-(3-methylphenyl)pyrimidine?
4,6-dichloro-5-iodo-2-(3-methylphenyl)pyrimidine has a molecular weight of 365.00 g/mol, XLogP of 4.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-5-iodo-2-(3-methylphenyl)pyrimidine is sourced from PubChem (CID 66316828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).