3-phenyl-3-pyridin-2-ylpropanal

C14H13NO — CID 10443138

IUPAC3-phenyl-3-pyridin-2-ylpropanal
SMILESO=CCC(c1ccccc1)c1ccccn1
InChIInChI=1S/C14H13NO/c16-11-9-13(12-6-2-1-3-7-12)14-8-4-5-10-15-14/h1-8,10-11,13H,9H2
InChIKeyNIUINLYXRYRLBJ-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.80
Rot. Bonds4

About 3-phenyl-3-pyridin-2-ylpropanal

3-phenyl-3-pyridin-2-ylpropanal (PubChem CID 10443138) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-phenyl-3-pyridin-2-ylpropanal.

Molecular Properties

Compound Name3-phenyl-3-pyridin-2-ylpropanal
PubChem CID10443138
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name3-phenyl-3-pyridin-2-ylpropanal
SMILESO=CCC(c1ccccc1)c1ccccn1
InChIInChI=1S/C14H13NO/c16-11-9-13(12-6-2-1-3-7-12)14-8-4-5-10-15-14/h1-8,10-11,13H,9H2
InChIKeyNIUINLYXRYRLBJ-UHFFFAOYSA-N
XLogP2.80
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.80
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

Disopyramide
CID 3114
Pheniramine
CID 4761
2-(3-Phenylpropyl)Pyridine
CID 459494
4-Benzoylpyridine
CID 26731
Mono-N-dealkyldisopyramide
CID 107858
2-Benzoylpyridine
CID 7038
2-Phenylpyridine
CID 13887
Vamicamide
CID 65967
2-(Phenylmethyl)pyridine
CID 7581
4-Quinolinecarboxaldehyde
CID 78072
Disopyramide, (R)-
CID 156294
2-(2-Phenylethyl)pyridine
CID 75028

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-pyridin-2-ylpropanal?
The IUPAC name of 3-phenyl-3-pyridin-2-ylpropanal (CID 10443138) is 3-phenyl-3-pyridin-2-ylpropanal.
What is the SMILES notation for 3-phenyl-3-pyridin-2-ylpropanal?
The canonical SMILES for 3-phenyl-3-pyridin-2-ylpropanal is O=CCC(c1ccccc1)c1ccccn1.
What is the InChIKey of 3-phenyl-3-pyridin-2-ylpropanal?
The InChIKey is NIUINLYXRYRLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c16-11-9-13(12-6-2-1-3-7-12)14-8-4-5-10-15-14/h1-8,10-11,13H,9H2.
What are the key properties of 3-phenyl-3-pyridin-2-ylpropanal?
3-phenyl-3-pyridin-2-ylpropanal has a molecular weight of 211.26 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-pyridin-2-ylpropanal is sourced from PubChem (CID 10443138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).