4-chloro-2-(3,4-dichlorophenyl)-5-iodo-6-methylpyrimidine

C11H6Cl3IN2 — CID 66312430

IUPAC4-chloro-2-(3,4-dichlorophenyl)-5-iodo-6-methylpyrimidine
SMILESCc1nc(-c2ccc(Cl)c(Cl)c2)nc(Cl)c1I
InChIInChI=1S/C11H6Cl3IN2/c1-5-9(15)10(14)17-11(16-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3
InChIKeyAQNGDKCLAXWTCV-UHFFFAOYSA-N
MW399.45 g/mol
LogP5.02
Rot. Bonds1

About 4-chloro-2-(3,4-dichlorophenyl)-5-iodo-6-methylpyrimidine

4-chloro-2-(3,4-dichlorophenyl)-5-iodo-6-methylpyrimidine (PubChem CID 66312430) has the molecular formula C11H6Cl3IN2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 4-chloro-2-(3,4-dichlorophenyl)-5-iodo-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3,4-dichlorophenyl)-5-iodo-6-methylpyrimidine
PubChem CID66312430
Molecular FormulaC11H6Cl3IN2
Molecular Weight399.45 g/mol
Exact Mass397.86
IUPAC Name4-chloro-2-(3,4-dichlorophenyl)-5-iodo-6-methylpyrimidine
SMILESCc1nc(-c2ccc(Cl)c(Cl)c2)nc(Cl)c1I
InChIInChI=1S/C11H6Cl3IN2/c1-5-9(15)10(14)17-11(16-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3
InChIKeyAQNGDKCLAXWTCV-UHFFFAOYSA-N
XLogP5.02
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.45
LogP ≤ 55.02
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-2-(3,4-dichlorophenyl)-5-iodo-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-(3,4-dichlorophenyl)-5-iodo-6-methylpyrimidine (CID 66312430) is 4-chloro-2-(3,4-dichlorophenyl)-5-iodo-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(3,4-dichlorophenyl)-5-iodo-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(3,4-dichlorophenyl)-5-iodo-6-methylpyrimidine is Cc1nc(-c2ccc(Cl)c(Cl)c2)nc(Cl)c1I.
What is the InChIKey of 4-chloro-2-(3,4-dichlorophenyl)-5-iodo-6-methylpyrimidine?
The InChIKey is AQNGDKCLAXWTCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3IN2/c1-5-9(15)10(14)17-11(16-5)6-2-3-7(12)8(13)4-6/h2-4H,1H3.
What are the key properties of 4-chloro-2-(3,4-dichlorophenyl)-5-iodo-6-methylpyrimidine?
4-chloro-2-(3,4-dichlorophenyl)-5-iodo-6-methylpyrimidine has a molecular weight of 399.45 g/mol, XLogP of 5.02, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3,4-dichlorophenyl)-5-iodo-6-methylpyrimidine is sourced from PubChem (CID 66312430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).