4-(2-chloro-4-phenylpyrimidin-5-yl)benzaldehyde

C17H11ClN2O — CID 143144222

IUPAC4-(2-chloro-4-phenylpyrimidin-5-yl)benzaldehyde
SMILESO=Cc1ccc(-c2cnc(Cl)nc2-c2ccccc2)cc1
InChIInChI=1S/C17H11ClN2O/c18-17-19-10-15(13-8-6-12(11-21)7-9-13)16(20-17)14-4-2-1-3-5-14/h1-11H
InChIKeyDBPNDXYTDSVHAD-UHFFFAOYSA-N
MW294.74 g/mol
LogP4.28
Rot. Bonds3

About 4-(2-chloro-4-phenylpyrimidin-5-yl)benzaldehyde

4-(2-chloro-4-phenylpyrimidin-5-yl)benzaldehyde (PubChem CID 143144222) has the molecular formula C17H11ClN2O and a molecular weight of 294.74 g/mol. Its IUPAC name is 4-(2-chloro-4-phenylpyrimidin-5-yl)benzaldehyde.

Molecular Properties

Compound Name4-(2-chloro-4-phenylpyrimidin-5-yl)benzaldehyde
PubChem CID143144222
Molecular FormulaC17H11ClN2O
Molecular Weight294.74 g/mol
Exact Mass294.06
IUPAC Name4-(2-chloro-4-phenylpyrimidin-5-yl)benzaldehyde
SMILESO=Cc1ccc(-c2cnc(Cl)nc2-c2ccccc2)cc1
InChIInChI=1S/C17H11ClN2O/c18-17-19-10-15(13-8-6-12(11-21)7-9-13)16(20-17)14-4-2-1-3-5-14/h1-11H
InChIKeyDBPNDXYTDSVHAD-UHFFFAOYSA-N
XLogP4.28
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2-chloro-4-phenylpyrimidin-5-yl)benzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-phenylpyrimidin-5-yl)benzaldehyde?
The IUPAC name of 4-(2-chloro-4-phenylpyrimidin-5-yl)benzaldehyde (CID 143144222) is 4-(2-chloro-4-phenylpyrimidin-5-yl)benzaldehyde.
What is the SMILES notation for 4-(2-chloro-4-phenylpyrimidin-5-yl)benzaldehyde?
The canonical SMILES for 4-(2-chloro-4-phenylpyrimidin-5-yl)benzaldehyde is O=Cc1ccc(-c2cnc(Cl)nc2-c2ccccc2)cc1.
What is the InChIKey of 4-(2-chloro-4-phenylpyrimidin-5-yl)benzaldehyde?
The InChIKey is DBPNDXYTDSVHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN2O/c18-17-19-10-15(13-8-6-12(11-21)7-9-13)16(20-17)14-4-2-1-3-5-14/h1-11H.
What are the key properties of 4-(2-chloro-4-phenylpyrimidin-5-yl)benzaldehyde?
4-(2-chloro-4-phenylpyrimidin-5-yl)benzaldehyde has a molecular weight of 294.74 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-4-phenylpyrimidin-5-yl)benzaldehyde is sourced from PubChem (CID 143144222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).