5-bromo-4-chloro-6-ethenylpyrimidine

C6H4BrClN2 — CID 118153013

IUPAC5-bromo-4-chloro-6-ethenylpyrimidine
SMILESC=Cc1ncnc(Cl)c1Br
InChIInChI=1S/C6H4BrClN2/c1-2-4-5(7)6(8)10-3-9-4/h2-3H,1H2
InChIKeyPCNFXYHTGPOMRR-UHFFFAOYSA-N
MW219.47 g/mol
LogP2.54
Rot. Bonds1

About 5-bromo-4-chloro-6-ethenylpyrimidine

5-bromo-4-chloro-6-ethenylpyrimidine (PubChem CID 118153013) has the molecular formula C6H4BrClN2 and a molecular weight of 219.47 g/mol. Its IUPAC name is 5-bromo-4-chloro-6-ethenylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-chloro-6-ethenylpyrimidine
PubChem CID118153013
Molecular FormulaC6H4BrClN2
Molecular Weight219.47 g/mol
Exact Mass217.92
IUPAC Name5-bromo-4-chloro-6-ethenylpyrimidine
SMILESC=Cc1ncnc(Cl)c1Br
InChIInChI=1S/C6H4BrClN2/c1-2-4-5(7)6(8)10-3-9-4/h2-3H,1H2
InChIKeyPCNFXYHTGPOMRR-UHFFFAOYSA-N
XLogP2.54
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.47
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 5-bromo-4-chloro-6-ethenylpyrimidine 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 5-bromo-4-chloro-6-ethenylpyrimidine?
The IUPAC name of 5-bromo-4-chloro-6-ethenylpyrimidine (CID 118153013) is 5-bromo-4-chloro-6-ethenylpyrimidine.
What is the SMILES notation for 5-bromo-4-chloro-6-ethenylpyrimidine?
The canonical SMILES for 5-bromo-4-chloro-6-ethenylpyrimidine is C=Cc1ncnc(Cl)c1Br.
What is the InChIKey of 5-bromo-4-chloro-6-ethenylpyrimidine?
The InChIKey is PCNFXYHTGPOMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrClN2/c1-2-4-5(7)6(8)10-3-9-4/h2-3H,1H2.
What are the key properties of 5-bromo-4-chloro-6-ethenylpyrimidine?
5-bromo-4-chloro-6-ethenylpyrimidine has a molecular weight of 219.47 g/mol, XLogP of 2.54, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-chloro-6-ethenylpyrimidine is sourced from PubChem (CID 118153013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).