benzaldehyde;pyridine;2-(trifluoromethyl)pyridine

C18H15F3N2O — CID 87327506

IUPACbenzaldehyde;pyridine;2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccccn1.O=Cc1ccccc1.c1ccncc1
InChIInChI=1S/C7H6O.C6H4F3N.C5H5N/c8-6-7-4-2-1-3-5-7;7-6(8,9)5-3-1-2-4-10-5;1-2-4-6-5-3-1/h1-6H;1-4H;1-5H
InChIKeyAUQABPGCAJQMSR-UHFFFAOYSA-N
MW332.33 g/mol
LogP4.68
Rot. Bonds1

About benzaldehyde;pyridine;2-(trifluoromethyl)pyridine

benzaldehyde;pyridine;2-(trifluoromethyl)pyridine (PubChem CID 87327506) has the molecular formula C18H15F3N2O and a molecular weight of 332.33 g/mol. Its IUPAC name is benzaldehyde;pyridine;2-(trifluoromethyl)pyridine.

Molecular Properties

Compound Namebenzaldehyde;pyridine;2-(trifluoromethyl)pyridine
PubChem CID87327506
Molecular FormulaC18H15F3N2O
Molecular Weight332.33 g/mol
Exact Mass332.11
IUPAC Namebenzaldehyde;pyridine;2-(trifluoromethyl)pyridine
SMILESFC(F)(F)c1ccccn1.O=Cc1ccccc1.c1ccncc1
InChIInChI=1S/C7H6O.C6H4F3N.C5H5N/c8-6-7-4-2-1-3-5-7;7-6(8,9)5-3-1-2-4-10-5;1-2-4-6-5-3-1/h1-6H;1-4H;1-5H
InChIKeyAUQABPGCAJQMSR-UHFFFAOYSA-N
XLogP4.68
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.33
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze benzaldehyde;pyridine;2-(trifluoromethyl)pyridine 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 benzaldehyde;pyridine;2-(trifluoromethyl)pyridine?
The IUPAC name of benzaldehyde;pyridine;2-(trifluoromethyl)pyridine (CID 87327506) is benzaldehyde;pyridine;2-(trifluoromethyl)pyridine.
What is the SMILES notation for benzaldehyde;pyridine;2-(trifluoromethyl)pyridine?
The canonical SMILES for benzaldehyde;pyridine;2-(trifluoromethyl)pyridine is FC(F)(F)c1ccccn1.O=Cc1ccccc1.c1ccncc1.
What is the InChIKey of benzaldehyde;pyridine;2-(trifluoromethyl)pyridine?
The InChIKey is AUQABPGCAJQMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O.C6H4F3N.C5H5N/c8-6-7-4-2-1-3-5-7;7-6(8,9)5-3-1-2-4-10-5;1-2-4-6-5-3-1/h1-6H;1-4H;1-5H.
What are the key properties of benzaldehyde;pyridine;2-(trifluoromethyl)pyridine?
benzaldehyde;pyridine;2-(trifluoromethyl)pyridine has a molecular weight of 332.33 g/mol, XLogP of 4.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzaldehyde;pyridine;2-(trifluoromethyl)pyridine is sourced from PubChem (CID 87327506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).