2-(5-chlorothiophen-2-yl)-2-pyrimidin-4-ylacetaldehyde

C10H7ClN2OS — CID 87327913

IUPAC2-(5-chlorothiophen-2-yl)-2-pyrimidin-4-ylacetaldehyde
SMILESO=CC(c1ccncn1)c1ccc(Cl)s1
InChIInChI=1S/C10H7ClN2OS/c11-10-2-1-9(15-10)7(5-14)8-3-4-12-6-13-8/h1-7H
InChIKeyJJYZCTLIJOBGKE-UHFFFAOYSA-N
MW238.70 g/mol
LogP2.52
Rot. Bonds3

About 2-(5-chlorothiophen-2-yl)-2-pyrimidin-4-ylacetaldehyde

2-(5-chlorothiophen-2-yl)-2-pyrimidin-4-ylacetaldehyde (PubChem CID 87327913) has the molecular formula C10H7ClN2OS and a molecular weight of 238.70 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-2-pyrimidin-4-ylacetaldehyde.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-2-pyrimidin-4-ylacetaldehyde
PubChem CID87327913
Molecular FormulaC10H7ClN2OS
Molecular Weight238.70 g/mol
Exact Mass238.00
IUPAC Name2-(5-chlorothiophen-2-yl)-2-pyrimidin-4-ylacetaldehyde
SMILESO=CC(c1ccncn1)c1ccc(Cl)s1
InChIInChI=1S/C10H7ClN2OS/c11-10-2-1-9(15-10)7(5-14)8-3-4-12-6-13-8/h1-7H
InChIKeyJJYZCTLIJOBGKE-UHFFFAOYSA-N
XLogP2.52
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.70
LogP ≤ 52.52
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-(5-chlorothiophen-2-yl)-2-pyrimidin-4-ylacetaldehyde?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-2-pyrimidin-4-ylacetaldehyde (CID 87327913) is 2-(5-chlorothiophen-2-yl)-2-pyrimidin-4-ylacetaldehyde.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-2-pyrimidin-4-ylacetaldehyde?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-2-pyrimidin-4-ylacetaldehyde is O=CC(c1ccncn1)c1ccc(Cl)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-2-pyrimidin-4-ylacetaldehyde?
The InChIKey is JJYZCTLIJOBGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClN2OS/c11-10-2-1-9(15-10)7(5-14)8-3-4-12-6-13-8/h1-7H.
What are the key properties of 2-(5-chlorothiophen-2-yl)-2-pyrimidin-4-ylacetaldehyde?
2-(5-chlorothiophen-2-yl)-2-pyrimidin-4-ylacetaldehyde has a molecular weight of 238.70 g/mol, XLogP of 2.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-2-pyrimidin-4-ylacetaldehyde is sourced from PubChem (CID 87327913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).