6-(3-phenylpropanoyl)pyridine-3-carbaldehyde

C15H13NO2 — CID 19754544

IUPAC6-(3-phenylpropanoyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(C(=O)CCc2ccccc2)nc1
InChIInChI=1S/C15H13NO2/c17-11-13-6-8-14(16-10-13)15(18)9-7-12-4-2-1-3-5-12/h1-6,8,10-11H,7,9H2
InChIKeyQGMIXGHBGQJUQN-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.71
Rot. Bonds5

About 6-(3-phenylpropanoyl)pyridine-3-carbaldehyde

6-(3-phenylpropanoyl)pyridine-3-carbaldehyde (PubChem CID 19754544) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 6-(3-phenylpropanoyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-(3-phenylpropanoyl)pyridine-3-carbaldehyde
PubChem CID19754544
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name6-(3-phenylpropanoyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(C(=O)CCc2ccccc2)nc1
InChIInChI=1S/C15H13NO2/c17-11-13-6-8-14(16-10-13)15(18)9-7-12-4-2-1-3-5-12/h1-6,8,10-11H,7,9H2
InChIKeyQGMIXGHBGQJUQN-UHFFFAOYSA-N
XLogP2.71
TPSA47.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-phenyl-1-pyrimidin-4-ylpropan-1-one
CID 63989966
4-(4-phenylbutanoyl)benzaldehyde
CID 19754534
1-(5-bromo-2-pyridinyl)-3-pyridin-3-ylpropan-1-one
CID 167534942
6-phenylmethoxypyridine-3-carbaldehyde
CID 21102205
3-(4-formylphenyl)propanamide
CID 66485595
lanthanum;3-phenylpropanoic acid
CID 174887955
1-(3-phenylpropanoyl)pyrrole-2-carbaldehyde
CID 82062186
6-[benzyl(phosphanyl)amino]pyridine-3-carbaldehyde
CID 143399607
4-formyl-N-(2-phenylethyl)benzamide
CID 12773386
1-(1,2-oxazol-5-yl)-3-phenylpropan-1-one
CID 67793619
3-[4-(2-phenylethyl)phenyl]propanoic acid
CID 54586982
1-(3-methylthiophen-2-yl)-3-phenylpropan-1-one
CID 59179659

Frequently Asked Questions

What is the IUPAC name of 6-(3-phenylpropanoyl)pyridine-3-carbaldehyde?
The IUPAC name of 6-(3-phenylpropanoyl)pyridine-3-carbaldehyde (CID 19754544) is 6-(3-phenylpropanoyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 6-(3-phenylpropanoyl)pyridine-3-carbaldehyde?
The canonical SMILES for 6-(3-phenylpropanoyl)pyridine-3-carbaldehyde is O=Cc1ccc(C(=O)CCc2ccccc2)nc1.
What is the InChIKey of 6-(3-phenylpropanoyl)pyridine-3-carbaldehyde?
The InChIKey is QGMIXGHBGQJUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c17-11-13-6-8-14(16-10-13)15(18)9-7-12-4-2-1-3-5-12/h1-6,8,10-11H,7,9H2.
What are the key properties of 6-(3-phenylpropanoyl)pyridine-3-carbaldehyde?
6-(3-phenylpropanoyl)pyridine-3-carbaldehyde has a molecular weight of 239.27 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-phenylpropanoyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 19754544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).