2-(2-chloropyrimidin-4-yl)-1-(5-chlorothiophen-2-yl)ethanol

C10H8Cl2N2OS — CID 86657916

IUPAC2-(2-chloropyrimidin-4-yl)-1-(5-chlorothiophen-2-yl)ethanol
SMILESOC(Cc1ccnc(Cl)n1)c1ccc(Cl)s1
InChIInChI=1S/C10H8Cl2N2OS/c11-9-2-1-8(16-9)7(15)5-6-3-4-13-10(12)14-6/h1-4,7,15H,5H2
InChIKeyXZRNJWWHDDTOMJ-UHFFFAOYSA-N
MW275.16 g/mol
LogP3.12
Rot. Bonds3

About 2-(2-chloropyrimidin-4-yl)-1-(5-chlorothiophen-2-yl)ethanol

2-(2-chloropyrimidin-4-yl)-1-(5-chlorothiophen-2-yl)ethanol (PubChem CID 86657916) has the molecular formula C10H8Cl2N2OS and a molecular weight of 275.16 g/mol. Its IUPAC name is 2-(2-chloropyrimidin-4-yl)-1-(5-chlorothiophen-2-yl)ethanol.

Molecular Properties

Compound Name2-(2-chloropyrimidin-4-yl)-1-(5-chlorothiophen-2-yl)ethanol
PubChem CID86657916
Molecular FormulaC10H8Cl2N2OS
Molecular Weight275.16 g/mol
Exact Mass273.97
IUPAC Name2-(2-chloropyrimidin-4-yl)-1-(5-chlorothiophen-2-yl)ethanol
SMILESOC(Cc1ccnc(Cl)n1)c1ccc(Cl)s1
InChIInChI=1S/C10H8Cl2N2OS/c11-9-2-1-8(16-9)7(15)5-6-3-4-13-10(12)14-6/h1-4,7,15H,5H2
InChIKeyXZRNJWWHDDTOMJ-UHFFFAOYSA-N
XLogP3.12
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.16
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloropyrimidin-4-yl)-1-(5-chlorothiophen-2-yl)ethanol?
The IUPAC name of 2-(2-chloropyrimidin-4-yl)-1-(5-chlorothiophen-2-yl)ethanol (CID 86657916) is 2-(2-chloropyrimidin-4-yl)-1-(5-chlorothiophen-2-yl)ethanol.
What is the SMILES notation for 2-(2-chloropyrimidin-4-yl)-1-(5-chlorothiophen-2-yl)ethanol?
The canonical SMILES for 2-(2-chloropyrimidin-4-yl)-1-(5-chlorothiophen-2-yl)ethanol is OC(Cc1ccnc(Cl)n1)c1ccc(Cl)s1.
What is the InChIKey of 2-(2-chloropyrimidin-4-yl)-1-(5-chlorothiophen-2-yl)ethanol?
The InChIKey is XZRNJWWHDDTOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2OS/c11-9-2-1-8(16-9)7(15)5-6-3-4-13-10(12)14-6/h1-4,7,15H,5H2.
What are the key properties of 2-(2-chloropyrimidin-4-yl)-1-(5-chlorothiophen-2-yl)ethanol?
2-(2-chloropyrimidin-4-yl)-1-(5-chlorothiophen-2-yl)ethanol has a molecular weight of 275.16 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloropyrimidin-4-yl)-1-(5-chlorothiophen-2-yl)ethanol is sourced from PubChem (CID 86657916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).