2-chloro-4-(5-chlorothiophen-2-yl)pyrimidine

C8H4Cl2N2S — CID 24901987

IUPAC2-chloro-4-(5-chlorothiophen-2-yl)pyrimidine
SMILESClc1nccc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C8H4Cl2N2S/c9-7-2-1-6(13-7)5-3-4-11-8(10)12-5/h1-4H
InChIKeyJNEJYEIRQHELJN-UHFFFAOYSA-N
MW231.11 g/mol
LogP3.51
Rot. Bonds1

About 2-chloro-4-(5-chlorothiophen-2-yl)pyrimidine

2-chloro-4-(5-chlorothiophen-2-yl)pyrimidine (PubChem CID 24901987) has the molecular formula C8H4Cl2N2S and a molecular weight of 231.11 g/mol. Its IUPAC name is 2-chloro-4-(5-chlorothiophen-2-yl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(5-chlorothiophen-2-yl)pyrimidine
PubChem CID24901987
Molecular FormulaC8H4Cl2N2S
Molecular Weight231.11 g/mol
Exact Mass229.95
IUPAC Name2-chloro-4-(5-chlorothiophen-2-yl)pyrimidine
SMILESClc1nccc(-c2ccc(Cl)s2)n1
InChIInChI=1S/C8H4Cl2N2S/c9-7-2-1-6(13-7)5-3-4-11-8(10)12-5/h1-4H
InChIKeyJNEJYEIRQHELJN-UHFFFAOYSA-N
XLogP3.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.11
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(5-chlorothiophen-2-yl)pyrimidine?
The IUPAC name of 2-chloro-4-(5-chlorothiophen-2-yl)pyrimidine (CID 24901987) is 2-chloro-4-(5-chlorothiophen-2-yl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(5-chlorothiophen-2-yl)pyrimidine?
The canonical SMILES for 2-chloro-4-(5-chlorothiophen-2-yl)pyrimidine is Clc1nccc(-c2ccc(Cl)s2)n1.
What is the InChIKey of 2-chloro-4-(5-chlorothiophen-2-yl)pyrimidine?
The InChIKey is JNEJYEIRQHELJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4Cl2N2S/c9-7-2-1-6(13-7)5-3-4-11-8(10)12-5/h1-4H.
What are the key properties of 2-chloro-4-(5-chlorothiophen-2-yl)pyrimidine?
2-chloro-4-(5-chlorothiophen-2-yl)pyrimidine has a molecular weight of 231.11 g/mol, XLogP of 3.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(5-chlorothiophen-2-yl)pyrimidine is sourced from PubChem (CID 24901987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).