4-chloro-6-ethyl-5-iodo-2-(trichloromethyl)pyrimidine

C7H5Cl4IN2 — CID 165462500

IUPAC4-chloro-6-ethyl-5-iodo-2-(trichloromethyl)pyrimidine
SMILESCCc1nc(C(Cl)(Cl)Cl)nc(Cl)c1I
InChIInChI=1S/C7H5Cl4IN2/c1-2-3-4(12)5(8)14-6(13-3)7(9,10)11/h2H2,1H3
InChIKeyLXFKXUQKKZVRIX-UHFFFAOYSA-N
MW385.85 g/mol
LogP4.12
Rot. Bonds1

About 4-chloro-6-ethyl-5-iodo-2-(trichloromethyl)pyrimidine

4-chloro-6-ethyl-5-iodo-2-(trichloromethyl)pyrimidine (PubChem CID 165462500) has the molecular formula C7H5Cl4IN2 and a molecular weight of 385.85 g/mol. Its IUPAC name is 4-chloro-6-ethyl-5-iodo-2-(trichloromethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-ethyl-5-iodo-2-(trichloromethyl)pyrimidine
PubChem CID165462500
Molecular FormulaC7H5Cl4IN2
Molecular Weight385.85 g/mol
Exact Mass383.83
IUPAC Name4-chloro-6-ethyl-5-iodo-2-(trichloromethyl)pyrimidine
SMILESCCc1nc(C(Cl)(Cl)Cl)nc(Cl)c1I
InChIInChI=1S/C7H5Cl4IN2/c1-2-3-4(12)5(8)14-6(13-3)7(9,10)11/h2H2,1H3
InChIKeyLXFKXUQKKZVRIX-UHFFFAOYSA-N
XLogP4.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethyl-5-iodo-2-(trichloromethyl)pyrimidine?
The IUPAC name of 4-chloro-6-ethyl-5-iodo-2-(trichloromethyl)pyrimidine (CID 165462500) is 4-chloro-6-ethyl-5-iodo-2-(trichloromethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-ethyl-5-iodo-2-(trichloromethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-ethyl-5-iodo-2-(trichloromethyl)pyrimidine is CCc1nc(C(Cl)(Cl)Cl)nc(Cl)c1I.
What is the InChIKey of 4-chloro-6-ethyl-5-iodo-2-(trichloromethyl)pyrimidine?
The InChIKey is LXFKXUQKKZVRIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl4IN2/c1-2-3-4(12)5(8)14-6(13-3)7(9,10)11/h2H2,1H3.
What are the key properties of 4-chloro-6-ethyl-5-iodo-2-(trichloromethyl)pyrimidine?
4-chloro-6-ethyl-5-iodo-2-(trichloromethyl)pyrimidine has a molecular weight of 385.85 g/mol, XLogP of 4.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-5-iodo-2-(trichloromethyl)pyrimidine is sourced from PubChem (CID 165462500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).