4-(5-bromothiophen-2-yl)-2-chloropyrimidine

C8H4BrClN2S — CID 15141655

IUPAC4-(5-bromothiophen-2-yl)-2-chloropyrimidine
SMILESClc1nccc(-c2ccc(Br)s2)n1
InChIInChI=1S/C8H4BrClN2S/c9-7-2-1-6(13-7)5-3-4-11-8(10)12-5/h1-4H
InChIKeyAXALDHQRZFKGRT-UHFFFAOYSA-N
MW275.56 g/mol
LogP3.62
Rot. Bonds1

About 4-(5-bromothiophen-2-yl)-2-chloropyrimidine

4-(5-bromothiophen-2-yl)-2-chloropyrimidine (PubChem CID 15141655) has the molecular formula C8H4BrClN2S and a molecular weight of 275.56 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-2-chloropyrimidine.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-2-chloropyrimidine
PubChem CID15141655
Molecular FormulaC8H4BrClN2S
Molecular Weight275.56 g/mol
Exact Mass273.90
IUPAC Name4-(5-bromothiophen-2-yl)-2-chloropyrimidine
SMILESClc1nccc(-c2ccc(Br)s2)n1
InChIInChI=1S/C8H4BrClN2S/c9-7-2-1-6(13-7)5-3-4-11-8(10)12-5/h1-4H
InChIKeyAXALDHQRZFKGRT-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 4-(5-bromothiophen-2-yl)-2-chloropyrimidine?
The IUPAC name of 4-(5-bromothiophen-2-yl)-2-chloropyrimidine (CID 15141655) is 4-(5-bromothiophen-2-yl)-2-chloropyrimidine.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-2-chloropyrimidine?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-2-chloropyrimidine is Clc1nccc(-c2ccc(Br)s2)n1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-2-chloropyrimidine?
The InChIKey is AXALDHQRZFKGRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4BrClN2S/c9-7-2-1-6(13-7)5-3-4-11-8(10)12-5/h1-4H.
What are the key properties of 4-(5-bromothiophen-2-yl)-2-chloropyrimidine?
4-(5-bromothiophen-2-yl)-2-chloropyrimidine 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 4-(5-bromothiophen-2-yl)-2-chloropyrimidine is sourced from PubChem (CID 15141655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).