5-(3-phenylpropoxy)pyridine-2-carbaldehyde

C15H15NO2 — CID 79794594

IUPAC5-(3-phenylpropoxy)pyridine-2-carbaldehyde
SMILESO=Cc1ccc(OCCCc2ccccc2)cn1
InChIInChI=1S/C15H15NO2/c17-12-14-8-9-15(11-16-14)18-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12H,4,7,10H2
InChIKeyOVJWMAIFYYKLDN-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.91
Rot. Bonds6

About 5-(3-phenylpropoxy)pyridine-2-carbaldehyde

5-(3-phenylpropoxy)pyridine-2-carbaldehyde (PubChem CID 79794594) has the molecular formula C15H15NO2 and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-(3-phenylpropoxy)pyridine-2-carbaldehyde.

Molecular Properties

Compound Name5-(3-phenylpropoxy)pyridine-2-carbaldehyde
PubChem CID79794594
Molecular FormulaC15H15NO2
Molecular Weight241.29 g/mol
Exact Mass241.11
IUPAC Name5-(3-phenylpropoxy)pyridine-2-carbaldehyde
SMILESO=Cc1ccc(OCCCc2ccccc2)cn1
InChIInChI=1S/C15H15NO2/c17-12-14-8-9-15(11-16-14)18-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12H,4,7,10H2
InChIKeyOVJWMAIFYYKLDN-UHFFFAOYSA-N
XLogP2.91
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-pyridin-2-ylethoxy)pyridine-2-carbaldehyde
CID 79793881
1-[5-(3-phenylpropoxy)-2-pyridinyl]ethanone
CID 83119690
5-(3-phenylpropoxy)pyridine-2-carbonitrile
CID 113320705
1-[5-(2-phenylethoxy)-2-pyridinyl]-N-[4-[[4-[[5-(2-phenylethoxy)-2-pyridinyl]methylideneamino]phenyl]methyl]phenyl]methanimine
CID 143027534
5-(2-cyclopropylethoxy)pyridine-2-carbaldehyde
CID 79794927
6-(4-phenylbutoxy)naphthalene-2-carbaldehyde
CID 86087627
[5-(4-phenylbutoxy)-2-pyridinyl]methanol
CID 114333938
5-[(3-bromophenyl)methoxy]pyridine-2-carbaldehyde
CID 79794412
butyl 2-[(6-formyl-3-pyridinyl)oxy]acetate
CID 79794234
5-(3-methoxy-3-methylbutoxy)pyridine-2-carbaldehyde
CID 103033835
5-[4-(3-phenylpropoxy)phenyl]furan-2-carbaldehyde
CID 169333226
2-(3-phenylpropoxy)naphthalene
CID 13432986

Frequently Asked Questions

What is the IUPAC name of 5-(3-phenylpropoxy)pyridine-2-carbaldehyde?
The IUPAC name of 5-(3-phenylpropoxy)pyridine-2-carbaldehyde (CID 79794594) is 5-(3-phenylpropoxy)pyridine-2-carbaldehyde.
What is the SMILES notation for 5-(3-phenylpropoxy)pyridine-2-carbaldehyde?
The canonical SMILES for 5-(3-phenylpropoxy)pyridine-2-carbaldehyde is O=Cc1ccc(OCCCc2ccccc2)cn1.
What is the InChIKey of 5-(3-phenylpropoxy)pyridine-2-carbaldehyde?
The InChIKey is OVJWMAIFYYKLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO2/c17-12-14-8-9-15(11-16-14)18-10-4-7-13-5-2-1-3-6-13/h1-3,5-6,8-9,11-12H,4,7,10H2.
What are the key properties of 5-(3-phenylpropoxy)pyridine-2-carbaldehyde?
5-(3-phenylpropoxy)pyridine-2-carbaldehyde has a molecular weight of 241.29 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-phenylpropoxy)pyridine-2-carbaldehyde is sourced from PubChem (CID 79794594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).