2-(4-bromophenyl)-3-pyridin-2-ylpropanal

C14H12BrNO — CID 174426840

IUPAC2-(4-bromophenyl)-3-pyridin-2-ylpropanal
SMILESO=CC(Cc1ccccn1)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrNO/c15-13-6-4-11(5-7-13)12(10-17)9-14-3-1-2-8-16-14/h1-8,10,12H,9H2
InChIKeyYGIJLBHWKMSOBR-UHFFFAOYSA-N
MW290.16 g/mol
LogP3.37
Rot. Bonds4

About 2-(4-bromophenyl)-3-pyridin-2-ylpropanal

2-(4-bromophenyl)-3-pyridin-2-ylpropanal (PubChem CID 174426840) has the molecular formula C14H12BrNO and a molecular weight of 290.16 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-pyridin-2-ylpropanal.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-pyridin-2-ylpropanal
PubChem CID174426840
Molecular FormulaC14H12BrNO
Molecular Weight290.16 g/mol
Exact Mass289.01
IUPAC Name2-(4-bromophenyl)-3-pyridin-2-ylpropanal
SMILESO=CC(Cc1ccccn1)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrNO/c15-13-6-4-11(5-7-13)12(10-17)9-14-3-1-2-8-16-14/h1-8,10,12H,9H2
InChIKeyYGIJLBHWKMSOBR-UHFFFAOYSA-N
XLogP3.37
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.37
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-(4-bromophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43178958
[(1S)-1-(4-bromophenyl)-2-pyridin-2-ylethyl]urea
CID 99792892
2-amino-3-pyridin-2-ylpropanal
CID 22556784
sodium 2-formyl-3-pyridin-2-ylpropanenitrile
CID 22323282
N-(1-phenyl-2-pyridin-2-ylethyl)formamide
CID 57000523
1-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)propan-1-ol
CID 111421815
2-[2-bromo-2-(2,4-dibromophenyl)ethyl]pyridine
CID 107958138
1-(4-bromophenyl)sulfanyl-N-ethyl-3-pyridin-2-ylpropan-2-amine
CID 66055509
1-[(4-bromophenyl)methyl]-3-(pyridin-2-ylmethyl)urea
CID 108899435
2-(4-bromophenyl)-N-(pyridin-2-ylmethyl)acetamide
CID 842504
4-bromo-N-[2-(hydroxymethyl)-3-pyridin-2-ylpropyl]benzamide
CID 71862079
3-(4-bromophenyl)-3-(2-pyridin-2-ylethylamino)-2-[(2-pyridin-2-ylethylamino)methyl]propanoic acid
CID 3814783

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-pyridin-2-ylpropanal?
The IUPAC name of 2-(4-bromophenyl)-3-pyridin-2-ylpropanal (CID 174426840) is 2-(4-bromophenyl)-3-pyridin-2-ylpropanal.
What is the SMILES notation for 2-(4-bromophenyl)-3-pyridin-2-ylpropanal?
The canonical SMILES for 2-(4-bromophenyl)-3-pyridin-2-ylpropanal is O=CC(Cc1ccccn1)c1ccc(Br)cc1.
What is the InChIKey of 2-(4-bromophenyl)-3-pyridin-2-ylpropanal?
The InChIKey is YGIJLBHWKMSOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO/c15-13-6-4-11(5-7-13)12(10-17)9-14-3-1-2-8-16-14/h1-8,10,12H,9H2.
What are the key properties of 2-(4-bromophenyl)-3-pyridin-2-ylpropanal?
2-(4-bromophenyl)-3-pyridin-2-ylpropanal has a molecular weight of 290.16 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-pyridin-2-ylpropanal is sourced from PubChem (CID 174426840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).