5-bromo-2-(2-phenyl-2-pyridin-2-ylpropyl)benzaldehyde

C21H18BrNO — CID 132539690

IUPAC5-bromo-2-(2-phenyl-2-pyridin-2-ylpropyl)benzaldehyde
SMILESCC(Cc1ccc(Br)cc1C=O)(c1ccccc1)c1ccccn1
InChIInChI=1S/C21H18BrNO/c1-21(18-7-3-2-4-8-18,20-9-5-6-12-23-20)14-16-10-11-19(22)13-17(16)15-24/h2-13,15H,14H2,1H3
InChIKeyIERAWMUKSJBOEL-UHFFFAOYSA-N
MW380.29 g/mol
LogP5.21
Rot. Bonds5

About 5-bromo-2-(2-phenyl-2-pyridin-2-ylpropyl)benzaldehyde

5-bromo-2-(2-phenyl-2-pyridin-2-ylpropyl)benzaldehyde (PubChem CID 132539690) has the molecular formula C21H18BrNO and a molecular weight of 380.29 g/mol. Its IUPAC name is 5-bromo-2-(2-phenyl-2-pyridin-2-ylpropyl)benzaldehyde.

Molecular Properties

Compound Name5-bromo-2-(2-phenyl-2-pyridin-2-ylpropyl)benzaldehyde
PubChem CID132539690
Molecular FormulaC21H18BrNO
Molecular Weight380.29 g/mol
Exact Mass379.06
IUPAC Name5-bromo-2-(2-phenyl-2-pyridin-2-ylpropyl)benzaldehyde
SMILESCC(Cc1ccc(Br)cc1C=O)(c1ccccc1)c1ccccn1
InChIInChI=1S/C21H18BrNO/c1-21(18-7-3-2-4-8-18,20-9-5-6-12-23-20)14-16-10-11-19(22)13-17(16)15-24/h2-13,15H,14H2,1H3
InChIKeyIERAWMUKSJBOEL-UHFFFAOYSA-N
XLogP5.21
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.29
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromophenyl)-1-pyridin-2-ylethanol
CID 163303407
2-(1-phenyl-2-pyridin-2-ylpropan-2-yl)-6-[3-(1-phenyl-2-pyridin-2-ylpropan-2-yl)phenyl]pyridine
CID 162495630
1-hydroxy-1-phenyl-1-pyridin-2-ylpropan-2-one
CID 142148920
2-(benzenesulfonylmethyl)-4-bromobenzaldehyde
CID 132567098
2-methylidene-1-phenyl-1-pyridin-2-ylpentan-1-ol
CID 156855130
N-[(2S)-2-phenyl-2-pyridin-2-ylpropyl]-2,6-di(propan-2-yl)aniline
CID 139177638
2-[1-[4-ethyl-3-(trifluoromethyl)phenyl]-2-phenyl-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine
CID 143474512
2-(2,2-dimethylpropyl)benzaldehyde
CID 10103697
4-bromo-2-[(2-bromophenyl)methyl-methylamino]benzaldehyde
CID 63535972
5-bromo-2-[(2-methylphenyl)methoxy]benzaldehyde
CID 2063319
2-amino-2-pyridin-2-ylpropanoic acid
CID 4241373
tert-butylbenzene;2-tert-butylpyridine;4-tert-butylpyridine
CID 159945817

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-phenyl-2-pyridin-2-ylpropyl)benzaldehyde?
The IUPAC name of 5-bromo-2-(2-phenyl-2-pyridin-2-ylpropyl)benzaldehyde (CID 132539690) is 5-bromo-2-(2-phenyl-2-pyridin-2-ylpropyl)benzaldehyde.
What is the SMILES notation for 5-bromo-2-(2-phenyl-2-pyridin-2-ylpropyl)benzaldehyde?
The canonical SMILES for 5-bromo-2-(2-phenyl-2-pyridin-2-ylpropyl)benzaldehyde is CC(Cc1ccc(Br)cc1C=O)(c1ccccc1)c1ccccn1.
What is the InChIKey of 5-bromo-2-(2-phenyl-2-pyridin-2-ylpropyl)benzaldehyde?
The InChIKey is IERAWMUKSJBOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18BrNO/c1-21(18-7-3-2-4-8-18,20-9-5-6-12-23-20)14-16-10-11-19(22)13-17(16)15-24/h2-13,15H,14H2,1H3.
What are the key properties of 5-bromo-2-(2-phenyl-2-pyridin-2-ylpropyl)benzaldehyde?
5-bromo-2-(2-phenyl-2-pyridin-2-ylpropyl)benzaldehyde has a molecular weight of 380.29 g/mol, XLogP of 5.21, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-phenyl-2-pyridin-2-ylpropyl)benzaldehyde is sourced from PubChem (CID 132539690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).