4-(1-bromoethyl)-6-chloro-5-fluoropyrimidine

C6H5BrClFN2 — CID 10911633

IUPAC4-(1-bromoethyl)-6-chloro-5-fluoropyrimidine
SMILESCC(Br)c1ncnc(Cl)c1F
InChIInChI=1S/C6H5BrClFN2/c1-3(7)5-4(9)6(8)11-2-10-5/h2-3H,1H3
InChIKeyAAESVRBYUDTWKH-UHFFFAOYSA-N
MW239.47 g/mol
LogP2.72
Rot. Bonds1

About 4-(1-bromoethyl)-6-chloro-5-fluoropyrimidine

4-(1-bromoethyl)-6-chloro-5-fluoropyrimidine (PubChem CID 10911633) has the molecular formula C6H5BrClFN2 and a molecular weight of 239.47 g/mol. Its IUPAC name is 4-(1-bromoethyl)-6-chloro-5-fluoropyrimidine.

Molecular Properties

Compound Name4-(1-bromoethyl)-6-chloro-5-fluoropyrimidine
PubChem CID10911633
Molecular FormulaC6H5BrClFN2
Molecular Weight239.47 g/mol
Exact Mass237.93
IUPAC Name4-(1-bromoethyl)-6-chloro-5-fluoropyrimidine
SMILESCC(Br)c1ncnc(Cl)c1F
InChIInChI=1S/C6H5BrClFN2/c1-3(7)5-4(9)6(8)11-2-10-5/h2-3H,1H3
InChIKeyAAESVRBYUDTWKH-UHFFFAOYSA-N
XLogP2.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.47
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(1-bromoethyl)-6-chloro-5-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 4-(1-bromoethyl)-6-chloro-5-fluoropyrimidine?
The IUPAC name of 4-(1-bromoethyl)-6-chloro-5-fluoropyrimidine (CID 10911633) is 4-(1-bromoethyl)-6-chloro-5-fluoropyrimidine.
What is the SMILES notation for 4-(1-bromoethyl)-6-chloro-5-fluoropyrimidine?
The canonical SMILES for 4-(1-bromoethyl)-6-chloro-5-fluoropyrimidine is CC(Br)c1ncnc(Cl)c1F.
What is the InChIKey of 4-(1-bromoethyl)-6-chloro-5-fluoropyrimidine?
The InChIKey is AAESVRBYUDTWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrClFN2/c1-3(7)5-4(9)6(8)11-2-10-5/h2-3H,1H3.
What are the key properties of 4-(1-bromoethyl)-6-chloro-5-fluoropyrimidine?
4-(1-bromoethyl)-6-chloro-5-fluoropyrimidine has a molecular weight of 239.47 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bromoethyl)-6-chloro-5-fluoropyrimidine is sourced from PubChem (CID 10911633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).