4-(4-bromothiophen-2-yl)-2,6-dichloropyrimidine

C8H3BrCl2N2S — CID 82308797

IUPAC4-(4-bromothiophen-2-yl)-2,6-dichloropyrimidine
SMILESClc1cc(-c2cc(Br)cs2)nc(Cl)n1
InChIInChI=1S/C8H3BrCl2N2S/c9-4-1-6(14-3-4)5-2-7(10)13-8(11)12-5/h1-3H
InChIKeyZDLDGVLKEXUALA-UHFFFAOYSA-N
MW310.00 g/mol
LogP4.27
Rot. Bonds1

About 4-(4-bromothiophen-2-yl)-2,6-dichloropyrimidine

4-(4-bromothiophen-2-yl)-2,6-dichloropyrimidine (PubChem CID 82308797) has the molecular formula C8H3BrCl2N2S and a molecular weight of 310.00 g/mol. Its IUPAC name is 4-(4-bromothiophen-2-yl)-2,6-dichloropyrimidine.

Molecular Properties

Compound Name4-(4-bromothiophen-2-yl)-2,6-dichloropyrimidine
PubChem CID82308797
Molecular FormulaC8H3BrCl2N2S
Molecular Weight310.00 g/mol
Exact Mass307.86
IUPAC Name4-(4-bromothiophen-2-yl)-2,6-dichloropyrimidine
SMILESClc1cc(-c2cc(Br)cs2)nc(Cl)n1
InChIInChI=1S/C8H3BrCl2N2S/c9-4-1-6(14-3-4)5-2-7(10)13-8(11)12-5/h1-3H
InChIKeyZDLDGVLKEXUALA-UHFFFAOYSA-N
XLogP4.27
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.00
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromothiophen-2-yl)-2,6-dichloropyrimidine?
The IUPAC name of 4-(4-bromothiophen-2-yl)-2,6-dichloropyrimidine (CID 82308797) is 4-(4-bromothiophen-2-yl)-2,6-dichloropyrimidine.
What is the SMILES notation for 4-(4-bromothiophen-2-yl)-2,6-dichloropyrimidine?
The canonical SMILES for 4-(4-bromothiophen-2-yl)-2,6-dichloropyrimidine is Clc1cc(-c2cc(Br)cs2)nc(Cl)n1.
What is the InChIKey of 4-(4-bromothiophen-2-yl)-2,6-dichloropyrimidine?
The InChIKey is ZDLDGVLKEXUALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3BrCl2N2S/c9-4-1-6(14-3-4)5-2-7(10)13-8(11)12-5/h1-3H.
What are the key properties of 4-(4-bromothiophen-2-yl)-2,6-dichloropyrimidine?
4-(4-bromothiophen-2-yl)-2,6-dichloropyrimidine has a molecular weight of 310.00 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromothiophen-2-yl)-2,6-dichloropyrimidine is sourced from PubChem (CID 82308797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).