3-[6-(4-nonylphenyl)-3-pyridinyl]propanal

C23H31NO — CID 19821388

IUPAC3-[6-(4-nonylphenyl)-3-pyridinyl]propanal
SMILESCCCCCCCCCc1ccc(-c2ccc(CCC=O)cn2)cc1
InChIInChI=1S/C23H31NO/c1-2-3-4-5-6-7-8-10-20-12-15-22(16-13-20)23-17-14-21(19-24-23)11-9-18-25/h12-19H,2-11H2,1H3
InChIKeyOLGPZUIIMJEVMZ-UHFFFAOYSA-N
MW337.51 g/mol
LogP6.17
Rot. Bonds12

About 3-[6-(4-nonylphenyl)-3-pyridinyl]propanal

3-[6-(4-nonylphenyl)-3-pyridinyl]propanal (PubChem CID 19821388) has the molecular formula C23H31NO and a molecular weight of 337.51 g/mol. Its IUPAC name is 3-[6-(4-nonylphenyl)-3-pyridinyl]propanal.

Molecular Properties

Compound Name3-[6-(4-nonylphenyl)-3-pyridinyl]propanal
PubChem CID19821388
Molecular FormulaC23H31NO
Molecular Weight337.51 g/mol
Exact Mass337.24
IUPAC Name3-[6-(4-nonylphenyl)-3-pyridinyl]propanal
SMILESCCCCCCCCCc1ccc(-c2ccc(CCC=O)cn2)cc1
InChIInChI=1S/C23H31NO/c1-2-3-4-5-6-7-8-10-20-12-15-22(16-13-20)23-17-14-21(19-24-23)11-9-18-25/h12-19H,2-11H2,1H3
InChIKeyOLGPZUIIMJEVMZ-UHFFFAOYSA-N
XLogP6.17
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.51
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

3-[4-(5-butyl-2-pyridinyl)phenyl]propanal
CID 19867343
5-hexyl-2-[6-(4-octylphenyl)-3-pyridinyl]pyridine
CID 139839622
5-heptyl-2-(4-octylphenyl)pyridine
CID 19841858
2-(4-hexylphenyl)-5-[2-(4-pentylphenyl)ethyl]pyridine
CID 19841822
5-hexyl-2-[4-[2-(4-hexylphenyl)ethyl]phenyl]pyridine
CID 19841812
2-(4-dodecylphenyl)-5-ethylpyridine
CID 3092180
2,5-bis(4-octylphenyl)pyridine
CID 139839621
5-octyl-2-[4-(5-octyl-2-pyridinyl)phenyl]pyrimidine
CID 139621541
5-heptyl-2-[4-(5-nonyl-2-pyridinyl)phenyl]pyrimidine
CID 139621543
4-(5-nonyl-2-pyridinyl)phenol
CID 135627063
5-decyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine
CID 139626597
5-decyl-2-[4-(5-heptyl-2-pyridinyl)phenyl]pyrimidine
CID 139621535

Frequently Asked Questions

What is the IUPAC name of 3-[6-(4-nonylphenyl)-3-pyridinyl]propanal?
The IUPAC name of 3-[6-(4-nonylphenyl)-3-pyridinyl]propanal (CID 19821388) is 3-[6-(4-nonylphenyl)-3-pyridinyl]propanal.
What is the SMILES notation for 3-[6-(4-nonylphenyl)-3-pyridinyl]propanal?
The canonical SMILES for 3-[6-(4-nonylphenyl)-3-pyridinyl]propanal is CCCCCCCCCc1ccc(-c2ccc(CCC=O)cn2)cc1.
What is the InChIKey of 3-[6-(4-nonylphenyl)-3-pyridinyl]propanal?
The InChIKey is OLGPZUIIMJEVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO/c1-2-3-4-5-6-7-8-10-20-12-15-22(16-13-20)23-17-14-21(19-24-23)11-9-18-25/h12-19H,2-11H2,1H3.
What are the key properties of 3-[6-(4-nonylphenyl)-3-pyridinyl]propanal?
3-[6-(4-nonylphenyl)-3-pyridinyl]propanal has a molecular weight of 337.51 g/mol, XLogP of 6.17, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(4-nonylphenyl)-3-pyridinyl]propanal is sourced from PubChem (CID 19821388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).