4-(chloromethyl)-2-(trifluoromethyl)pyrimidine;hydrochloride

C6H5Cl2F3N2 — CID 138469823

IUPAC4-(chloromethyl)-2-(trifluoromethyl)pyrimidine;hydrochloride
SMILESCl.FC(F)(F)c1nccc(CCl)n1
InChIInChI=1S/C6H4ClF3N2.ClH/c7-3-4-1-2-11-5(12-4)6(8,9)10;/h1-2H,3H2;1H
InChIKeyAHIAFWHUTOLKKZ-UHFFFAOYSA-N
MW233.02 g/mol
LogP2.66
Rot. Bonds1

About 4-(chloromethyl)-2-(trifluoromethyl)pyrimidine;hydrochloride

4-(chloromethyl)-2-(trifluoromethyl)pyrimidine;hydrochloride (PubChem CID 138469823) has the molecular formula C6H5Cl2F3N2 and a molecular weight of 233.02 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(trifluoromethyl)pyrimidine;hydrochloride.

Molecular Properties

Compound Name4-(chloromethyl)-2-(trifluoromethyl)pyrimidine;hydrochloride
PubChem CID138469823
Molecular FormulaC6H5Cl2F3N2
Molecular Weight233.02 g/mol
Exact Mass231.98
IUPAC Name4-(chloromethyl)-2-(trifluoromethyl)pyrimidine;hydrochloride
SMILESCl.FC(F)(F)c1nccc(CCl)n1
InChIInChI=1S/C6H4ClF3N2.ClH/c7-3-4-1-2-11-5(12-4)6(8,9)10;/h1-2H,3H2;1H
InChIKeyAHIAFWHUTOLKKZ-UHFFFAOYSA-N
XLogP2.66
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.02
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-2-(trifluoromethyl)pyrimidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(trifluoromethyl)pyrimidine;hydrochloride?
The IUPAC name of 4-(chloromethyl)-2-(trifluoromethyl)pyrimidine;hydrochloride (CID 138469823) is 4-(chloromethyl)-2-(trifluoromethyl)pyrimidine;hydrochloride.
What is the SMILES notation for 4-(chloromethyl)-2-(trifluoromethyl)pyrimidine;hydrochloride?
The canonical SMILES for 4-(chloromethyl)-2-(trifluoromethyl)pyrimidine;hydrochloride is Cl.FC(F)(F)c1nccc(CCl)n1.
What is the InChIKey of 4-(chloromethyl)-2-(trifluoromethyl)pyrimidine;hydrochloride?
The InChIKey is AHIAFWHUTOLKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2.ClH/c7-3-4-1-2-11-5(12-4)6(8,9)10;/h1-2H,3H2;1H.
What are the key properties of 4-(chloromethyl)-2-(trifluoromethyl)pyrimidine;hydrochloride?
4-(chloromethyl)-2-(trifluoromethyl)pyrimidine;hydrochloride has a molecular weight of 233.02 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(trifluoromethyl)pyrimidine;hydrochloride is sourced from PubChem (CID 138469823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).