5-bromo-2-chloro-4-thiophen-2-ylpyrimidine

C8H4BrClN2S — CID 57428871

IUPAC5-bromo-2-chloro-4-thiophen-2-ylpyrimidine
SMILESClc1ncc(Br)c(-c2cccs2)n1
InChIInChI=1S/C8H4BrClN2S/c9-5-4-11-8(10)12-7(5)6-2-1-3-13-6/h1-4H
InChIKeyJVYDJRDLCCLRRJ-UHFFFAOYSA-N
MW275.56 g/mol
LogP3.62
Rot. Bonds1

About 5-bromo-2-chloro-4-thiophen-2-ylpyrimidine

5-bromo-2-chloro-4-thiophen-2-ylpyrimidine (PubChem CID 57428871) has the molecular formula C8H4BrClN2S and a molecular weight of 275.56 g/mol. Its IUPAC name is 5-bromo-2-chloro-4-thiophen-2-ylpyrimidine.

Molecular Properties

Compound Name5-bromo-2-chloro-4-thiophen-2-ylpyrimidine
PubChem CID57428871
Molecular FormulaC8H4BrClN2S
Molecular Weight275.56 g/mol
Exact Mass273.90
IUPAC Name5-bromo-2-chloro-4-thiophen-2-ylpyrimidine
SMILESClc1ncc(Br)c(-c2cccs2)n1
InChIInChI=1S/C8H4BrClN2S/c9-5-4-11-8(10)12-7(5)6-2-1-3-13-6/h1-4H
InChIKeyJVYDJRDLCCLRRJ-UHFFFAOYSA-N
XLogP3.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.56
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-4-thiophen-2-ylpyrimidine?
The IUPAC name of 5-bromo-2-chloro-4-thiophen-2-ylpyrimidine (CID 57428871) is 5-bromo-2-chloro-4-thiophen-2-ylpyrimidine.
What is the SMILES notation for 5-bromo-2-chloro-4-thiophen-2-ylpyrimidine?
The canonical SMILES for 5-bromo-2-chloro-4-thiophen-2-ylpyrimidine is Clc1ncc(Br)c(-c2cccs2)n1.
What is the InChIKey of 5-bromo-2-chloro-4-thiophen-2-ylpyrimidine?
The InChIKey is JVYDJRDLCCLRRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2S/c9-5-4-11-8(10)12-7(5)6-2-1-3-13-6/h1-4H.
What are the key properties of 5-bromo-2-chloro-4-thiophen-2-ylpyrimidine?
5-bromo-2-chloro-4-thiophen-2-ylpyrimidine has a molecular weight of 275.56 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-4-thiophen-2-ylpyrimidine is sourced from PubChem (CID 57428871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).