2-chloro-4-iodo-6-(trifluoromethyl)pyrimidine

C5HClF3IN2 — CID 119004261

IUPAC2-chloro-4-iodo-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(I)nc(Cl)n1
InChIInChI=1S/C5HClF3IN2/c6-4-11-2(5(7,8)9)1-3(10)12-4/h1H
InChIKeyIJBXOJBDGHKJEJ-UHFFFAOYSA-N
MW308.43 g/mol
LogP2.75
Rot. Bonds

About 2-chloro-4-iodo-6-(trifluoromethyl)pyrimidine

2-chloro-4-iodo-6-(trifluoromethyl)pyrimidine (PubChem CID 119004261) has the molecular formula C5HClF3IN2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 2-chloro-4-iodo-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-iodo-6-(trifluoromethyl)pyrimidine
PubChem CID119004261
Molecular FormulaC5HClF3IN2
Molecular Weight308.43 g/mol
Exact Mass307.88
IUPAC Name2-chloro-4-iodo-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(I)nc(Cl)n1
InChIInChI=1S/C5HClF3IN2/c6-4-11-2(5(7,8)9)1-3(10)12-4/h1H
InChIKeyIJBXOJBDGHKJEJ-UHFFFAOYSA-N
XLogP2.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 52.75
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 2-chloro-4-iodo-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-iodo-6-(trifluoromethyl)pyrimidine (CID 119004261) is 2-chloro-4-iodo-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-iodo-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-iodo-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(I)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-iodo-6-(trifluoromethyl)pyrimidine?
The InChIKey is IJBXOJBDGHKJEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HClF3IN2/c6-4-11-2(5(7,8)9)1-3(10)12-4/h1H.
What are the key properties of 2-chloro-4-iodo-6-(trifluoromethyl)pyrimidine?
2-chloro-4-iodo-6-(trifluoromethyl)pyrimidine has a molecular weight of 308.43 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-iodo-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 119004261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).