2-(2-chloropyrimidin-4-yl)-2-(5-chlorothiophen-2-yl)acetaldehyde

C10H6Cl2N2OS — CID 87327479

IUPAC2-(2-chloropyrimidin-4-yl)-2-(5-chlorothiophen-2-yl)acetaldehyde
SMILESO=CC(c1ccnc(Cl)n1)c1ccc(Cl)s1
InChIInChI=1S/C10H6Cl2N2OS/c11-9-2-1-8(16-9)6(5-15)7-3-4-13-10(12)14-7/h1-6H
InChIKeyMEAZZWGBVMVVSJ-UHFFFAOYSA-N
MW273.14 g/mol
LogP3.18
Rot. Bonds3

About 2-(2-chloropyrimidin-4-yl)-2-(5-chlorothiophen-2-yl)acetaldehyde

2-(2-chloropyrimidin-4-yl)-2-(5-chlorothiophen-2-yl)acetaldehyde (PubChem CID 87327479) has the molecular formula C10H6Cl2N2OS and a molecular weight of 273.14 g/mol. Its IUPAC name is 2-(2-chloropyrimidin-4-yl)-2-(5-chlorothiophen-2-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-chloropyrimidin-4-yl)-2-(5-chlorothiophen-2-yl)acetaldehyde
PubChem CID87327479
Molecular FormulaC10H6Cl2N2OS
Molecular Weight273.14 g/mol
Exact Mass271.96
IUPAC Name2-(2-chloropyrimidin-4-yl)-2-(5-chlorothiophen-2-yl)acetaldehyde
SMILESO=CC(c1ccnc(Cl)n1)c1ccc(Cl)s1
InChIInChI=1S/C10H6Cl2N2OS/c11-9-2-1-8(16-9)6(5-15)7-3-4-13-10(12)14-7/h1-6H
InChIKeyMEAZZWGBVMVVSJ-UHFFFAOYSA-N
XLogP3.18
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.14
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloropyrimidin-4-yl)-2-(5-chlorothiophen-2-yl)acetaldehyde?
The IUPAC name of 2-(2-chloropyrimidin-4-yl)-2-(5-chlorothiophen-2-yl)acetaldehyde (CID 87327479) is 2-(2-chloropyrimidin-4-yl)-2-(5-chlorothiophen-2-yl)acetaldehyde.
What is the SMILES notation for 2-(2-chloropyrimidin-4-yl)-2-(5-chlorothiophen-2-yl)acetaldehyde?
The canonical SMILES for 2-(2-chloropyrimidin-4-yl)-2-(5-chlorothiophen-2-yl)acetaldehyde is O=CC(c1ccnc(Cl)n1)c1ccc(Cl)s1.
What is the InChIKey of 2-(2-chloropyrimidin-4-yl)-2-(5-chlorothiophen-2-yl)acetaldehyde?
The InChIKey is MEAZZWGBVMVVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2N2OS/c11-9-2-1-8(16-9)6(5-15)7-3-4-13-10(12)14-7/h1-6H.
What are the key properties of 2-(2-chloropyrimidin-4-yl)-2-(5-chlorothiophen-2-yl)acetaldehyde?
2-(2-chloropyrimidin-4-yl)-2-(5-chlorothiophen-2-yl)acetaldehyde has a molecular weight of 273.14 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloropyrimidin-4-yl)-2-(5-chlorothiophen-2-yl)acetaldehyde is sourced from PubChem (CID 87327479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).