2-(chloromethyl)-4-fluoropyrimidine

C5H4ClFN2 — CID 21254454

IUPAC2-(chloromethyl)-4-fluoropyrimidine
SMILESFc1ccnc(CCl)n1
InChIInChI=1S/C5H4ClFN2/c6-3-5-8-2-1-4(7)9-5/h1-2H,3H2
InChIKeyRGSPTSXXNMWTLT-UHFFFAOYSA-N
MW146.55 g/mol
LogP1.35
Rot. Bonds1

About 2-(chloromethyl)-4-fluoropyrimidine

2-(chloromethyl)-4-fluoropyrimidine (PubChem CID 21254454) has the molecular formula C5H4ClFN2 and a molecular weight of 146.55 g/mol. Its IUPAC name is 2-(chloromethyl)-4-fluoropyrimidine.

Molecular Properties

Compound Name2-(chloromethyl)-4-fluoropyrimidine
PubChem CID21254454
Molecular FormulaC5H4ClFN2
Molecular Weight146.55 g/mol
Exact Mass146.00
IUPAC Name2-(chloromethyl)-4-fluoropyrimidine
SMILESFc1ccnc(CCl)n1
InChIInChI=1S/C5H4ClFN2/c6-3-5-8-2-1-4(7)9-5/h1-2H,3H2
InChIKeyRGSPTSXXNMWTLT-UHFFFAOYSA-N
XLogP1.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.55
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(chloromethyl)-4-fluoropyrimidine 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 2-(chloromethyl)-4-fluoropyrimidine?
The IUPAC name of 2-(chloromethyl)-4-fluoropyrimidine (CID 21254454) is 2-(chloromethyl)-4-fluoropyrimidine.
What is the SMILES notation for 2-(chloromethyl)-4-fluoropyrimidine?
The canonical SMILES for 2-(chloromethyl)-4-fluoropyrimidine is Fc1ccnc(CCl)n1.
What is the InChIKey of 2-(chloromethyl)-4-fluoropyrimidine?
The InChIKey is RGSPTSXXNMWTLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClFN2/c6-3-5-8-2-1-4(7)9-5/h1-2H,3H2.
What are the key properties of 2-(chloromethyl)-4-fluoropyrimidine?
2-(chloromethyl)-4-fluoropyrimidine has a molecular weight of 146.55 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-fluoropyrimidine is sourced from PubChem (CID 21254454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).