3-[4-(5-butyl-2-pyridinyl)phenyl]propanal

C18H21NO — CID 19867343

IUPAC3-[4-(5-butyl-2-pyridinyl)phenyl]propanal
SMILESCCCCc1ccc(-c2ccc(CCC=O)cc2)nc1
InChIInChI=1S/C18H21NO/c1-2-3-5-16-9-12-18(19-14-16)17-10-7-15(8-11-17)6-4-13-20/h7-14H,2-6H2,1H3
InChIKeyBPQIZDJIZBKRGO-UHFFFAOYSA-N
MW267.37 g/mol
LogP4.22
Rot. Bonds7

About 3-[4-(5-butyl-2-pyridinyl)phenyl]propanal

3-[4-(5-butyl-2-pyridinyl)phenyl]propanal (PubChem CID 19867343) has the molecular formula C18H21NO and a molecular weight of 267.37 g/mol. Its IUPAC name is 3-[4-(5-butyl-2-pyridinyl)phenyl]propanal.

Molecular Properties

Compound Name3-[4-(5-butyl-2-pyridinyl)phenyl]propanal
PubChem CID19867343
Molecular FormulaC18H21NO
Molecular Weight267.37 g/mol
Exact Mass267.16
IUPAC Name3-[4-(5-butyl-2-pyridinyl)phenyl]propanal
SMILESCCCCc1ccc(-c2ccc(CCC=O)cc2)nc1
InChIInChI=1S/C18H21NO/c1-2-3-5-16-9-12-18(19-14-16)17-10-7-15(8-11-17)6-4-13-20/h7-14H,2-6H2,1H3
InChIKeyBPQIZDJIZBKRGO-UHFFFAOYSA-N
XLogP4.22
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 54.22
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

3-[6-(4-nonylphenyl)-3-pyridinyl]propanal
CID 19821388
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-propylphenyl)-5-[2-(4-propylphenyl)ethyl]pyridine
CID 19842005
2-(4-dodecylphenyl)-5-ethylpyridine
CID 3092180
5-pentyl-2-[4-(5-pentyl-2-pyridinyl)phenyl]pyrimidine
CID 139621534
2-[6-(4-butylphenyl)-3-pyridinyl]-5-hexylpyrimidine
CID 86172659
2,5-bis(4-octylphenyl)pyridine
CID 139839621
5-octyl-2-[4-(5-octyl-2-pyridinyl)phenyl]pyrimidine
CID 139621541
4-(5-nonyl-2-pyridinyl)phenol
CID 135627063

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-butyl-2-pyridinyl)phenyl]propanal?
The IUPAC name of 3-[4-(5-butyl-2-pyridinyl)phenyl]propanal (CID 19867343) is 3-[4-(5-butyl-2-pyridinyl)phenyl]propanal.
What is the SMILES notation for 3-[4-(5-butyl-2-pyridinyl)phenyl]propanal?
The canonical SMILES for 3-[4-(5-butyl-2-pyridinyl)phenyl]propanal is CCCCc1ccc(-c2ccc(CCC=O)cc2)nc1.
What is the InChIKey of 3-[4-(5-butyl-2-pyridinyl)phenyl]propanal?
The InChIKey is BPQIZDJIZBKRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO/c1-2-3-5-16-9-12-18(19-14-16)17-10-7-15(8-11-17)6-4-13-20/h7-14H,2-6H2,1H3.
What are the key properties of 3-[4-(5-butyl-2-pyridinyl)phenyl]propanal?
3-[4-(5-butyl-2-pyridinyl)phenyl]propanal has a molecular weight of 267.37 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-butyl-2-pyridinyl)phenyl]propanal is sourced from PubChem (CID 19867343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).