3-hydroxy-2-phenyl-4-pyridin-3-ylbutanal

C15H15NO2 — CID 163639078

IUPAC3-hydroxy-2-phenyl-4-pyridin-3-ylbutanal
SMILESO=CC(c1ccccc1)C(O)Cc1cccnc1
InChIInChI=1S/C15H15NO2/c17-11-14(13-6-2-1-3-7-13)15(18)9-12-5-4-8-16-10-12/h1-8,10-11,14-15,18H,9H2
InChIKeyICQCLCZFBWCDBE-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.97
Rot. Bonds5

About 3-hydroxy-2-phenyl-4-pyridin-3-ylbutanal

3-hydroxy-2-phenyl-4-pyridin-3-ylbutanal (PubChem CID 163639078) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-hydroxy-2-phenyl-4-pyridin-3-ylbutanal.

Molecular Properties

Compound Name3-hydroxy-2-phenyl-4-pyridin-3-ylbutanal
PubChem CID163639078
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name3-hydroxy-2-phenyl-4-pyridin-3-ylbutanal
SMILESO=CC(c1ccccc1)C(O)Cc1cccnc1
InChIInChI=1S/C15H15NO2/c17-11-14(13-6-2-1-3-7-13)15(18)9-12-5-4-8-16-10-12/h1-8,10-11,14-15,18H,9H2
InChIKeyICQCLCZFBWCDBE-UHFFFAOYSA-N
XLogP1.97
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-2-phenyl-1-pyridin-3-ylethanol
CID 93312258
2-phenyl-3-pyridin-3-ylpropanamide
CID 171502842
1-(4-phenylphenyl)-2-pyridin-3-ylethanol
CID 65455131
3-benzylpyridine;formic acid
CID 174503454
2-methyl-1-phenyl-3-pyridin-3-ylpropan-1-one
CID 104845055
(1S)-2-phenyl-1-pyridin-3-ylethanamine
CID 93312491
2-phenyl-1-pyridin-3-ylethanamine
CID 10352711
3-phenyl-2-pyridin-3-ylpropanoic acid;hydrochloride
CID 175333059
(1-oxo-3-pyridin-3-ylpropan-2-yl) carbamate
CID 175424495
4-amino-4-phenyl-1-pyridin-3-ylbutan-2-one
CID 116553063
N-(1-oxo-3-pyridin-3-ylpropan-2-yl)acetamide
CID 21464846
1-amino-3-pyridin-3-ylpropan-2-ol
CID 56924494

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-phenyl-4-pyridin-3-ylbutanal?
The IUPAC name of 3-hydroxy-2-phenyl-4-pyridin-3-ylbutanal (CID 163639078) is 3-hydroxy-2-phenyl-4-pyridin-3-ylbutanal.
What is the SMILES notation for 3-hydroxy-2-phenyl-4-pyridin-3-ylbutanal?
The canonical SMILES for 3-hydroxy-2-phenyl-4-pyridin-3-ylbutanal is O=CC(c1ccccc1)C(O)Cc1cccnc1.
What is the InChIKey of 3-hydroxy-2-phenyl-4-pyridin-3-ylbutanal?
The InChIKey is ICQCLCZFBWCDBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c17-11-14(13-6-2-1-3-7-13)15(18)9-12-5-4-8-16-10-12/h1-8,10-11,14-15,18H,9H2.
What are the key properties of 3-hydroxy-2-phenyl-4-pyridin-3-ylbutanal?
3-hydroxy-2-phenyl-4-pyridin-3-ylbutanal has a molecular weight of 241.29 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-phenyl-4-pyridin-3-ylbutanal is sourced from PubChem (CID 163639078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).