3-(3-bromophenyl)-3-phenyl-3-pyridin-4-ylpropanal

C20H16BrNO — CID 123491203

IUPAC3-(3-bromophenyl)-3-phenyl-3-pyridin-4-ylpropanal
SMILESO=CCC(c1ccccc1)(c1ccncc1)c1cccc(Br)c1
InChIInChI=1S/C20H16BrNO/c21-19-8-4-7-18(15-19)20(11-14-23,16-5-2-1-3-6-16)17-9-12-22-13-10-17/h1-10,12-15H,11H2
InChIKeyRGAZOJAVCGFTOH-UHFFFAOYSA-N
MW366.26 g/mol
LogP4.77
Rot. Bonds5

About 3-(3-bromophenyl)-3-phenyl-3-pyridin-4-ylpropanal

3-(3-bromophenyl)-3-phenyl-3-pyridin-4-ylpropanal (PubChem CID 123491203) has the molecular formula C20H16BrNO and a molecular weight of 366.26 g/mol. Its IUPAC name is 3-(3-bromophenyl)-3-phenyl-3-pyridin-4-ylpropanal.

Molecular Properties

Compound Name3-(3-bromophenyl)-3-phenyl-3-pyridin-4-ylpropanal
PubChem CID123491203
Molecular FormulaC20H16BrNO
Molecular Weight366.26 g/mol
Exact Mass365.04
IUPAC Name3-(3-bromophenyl)-3-phenyl-3-pyridin-4-ylpropanal
SMILESO=CCC(c1ccccc1)(c1ccncc1)c1cccc(Br)c1
InChIInChI=1S/C20H16BrNO/c21-19-8-4-7-18(15-19)20(11-14-23,16-5-2-1-3-6-16)17-9-12-22-13-10-17/h1-10,12-15H,11H2
InChIKeyRGAZOJAVCGFTOH-UHFFFAOYSA-N
XLogP4.77
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.26
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-3-phenyl-3-pyridin-4-ylpropanal?
The IUPAC name of 3-(3-bromophenyl)-3-phenyl-3-pyridin-4-ylpropanal (CID 123491203) is 3-(3-bromophenyl)-3-phenyl-3-pyridin-4-ylpropanal.
What is the SMILES notation for 3-(3-bromophenyl)-3-phenyl-3-pyridin-4-ylpropanal?
The canonical SMILES for 3-(3-bromophenyl)-3-phenyl-3-pyridin-4-ylpropanal is O=CCC(c1ccccc1)(c1ccncc1)c1cccc(Br)c1.
What is the InChIKey of 3-(3-bromophenyl)-3-phenyl-3-pyridin-4-ylpropanal?
The InChIKey is RGAZOJAVCGFTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrNO/c21-19-8-4-7-18(15-19)20(11-14-23,16-5-2-1-3-6-16)17-9-12-22-13-10-17/h1-10,12-15H,11H2.
What are the key properties of 3-(3-bromophenyl)-3-phenyl-3-pyridin-4-ylpropanal?
3-(3-bromophenyl)-3-phenyl-3-pyridin-4-ylpropanal has a molecular weight of 366.26 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-3-phenyl-3-pyridin-4-ylpropanal is sourced from PubChem (CID 123491203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).