4-[(4-ethylphenyl)methyl]pyridine-3-carbaldehyde

C15H15NO — CID 96603971

IUPAC4-[(4-ethylphenyl)methyl]pyridine-3-carbaldehyde
SMILESCCc1ccc(Cc2ccncc2C=O)cc1
InChIInChI=1S/C15H15NO/c1-2-12-3-5-13(6-4-12)9-14-7-8-16-10-15(14)11-17/h3-8,10-11H,2,9H2,1H3
InChIKeyQUSSHOXZQNJZLZ-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.05
Rot. Bonds4

About 4-[(4-ethylphenyl)methyl]pyridine-3-carbaldehyde

4-[(4-ethylphenyl)methyl]pyridine-3-carbaldehyde (PubChem CID 96603971) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[(4-ethylphenyl)methyl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name4-[(4-ethylphenyl)methyl]pyridine-3-carbaldehyde
PubChem CID96603971
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name4-[(4-ethylphenyl)methyl]pyridine-3-carbaldehyde
SMILESCCc1ccc(Cc2ccncc2C=O)cc1
InChIInChI=1S/C15H15NO/c1-2-12-3-5-13(6-4-12)9-14-7-8-16-10-15(14)11-17/h3-8,10-11H,2,9H2,1H3
InChIKeyQUSSHOXZQNJZLZ-UHFFFAOYSA-N
XLogP3.05
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.05
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

4-[(3-formyl-4-pyridinyl)methyl]benzonitrile
CID 12017383
4-[(4-ethylphenyl)methyl]pyridin-3-ol
CID 23103643
4-[(4-ethylphenyl)methyl]pyridin-3-amine
CID 96612961
4-prop-2-enylpyridine-3-carbaldehyde
CID 11309589
4-(3-methylbutyl)pyridine-3-carbaldehyde
CID 82410364
3-[(4-propan-2-ylphenyl)methyl]pyridine-4-carbaldehyde
CID 96592105
4-but-3-enylpyridine-3-carbaldehyde
CID 53309054
3-bromo-4-ethylpyridine
CID 13160533
3,4-diethylpyridine;ethane
CID 90914060
4-(4-methylphenyl)pyridine-3-carbaldehyde
CID 10878098
5-chloro-2-[(5-ethyl-2-pyridinyl)methyl]benzaldehyde
CID 79739852
3-[[4-(4-ethylphenyl)phenyl]methyl]pyridine
CID 143881786

Frequently Asked Questions

What is the IUPAC name of 4-[(4-ethylphenyl)methyl]pyridine-3-carbaldehyde?
The IUPAC name of 4-[(4-ethylphenyl)methyl]pyridine-3-carbaldehyde (CID 96603971) is 4-[(4-ethylphenyl)methyl]pyridine-3-carbaldehyde.
What is the SMILES notation for 4-[(4-ethylphenyl)methyl]pyridine-3-carbaldehyde?
The canonical SMILES for 4-[(4-ethylphenyl)methyl]pyridine-3-carbaldehyde is CCc1ccc(Cc2ccncc2C=O)cc1.
What is the InChIKey of 4-[(4-ethylphenyl)methyl]pyridine-3-carbaldehyde?
The InChIKey is QUSSHOXZQNJZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-2-12-3-5-13(6-4-12)9-14-7-8-16-10-15(14)11-17/h3-8,10-11H,2,9H2,1H3.
What are the key properties of 4-[(4-ethylphenyl)methyl]pyridine-3-carbaldehyde?
4-[(4-ethylphenyl)methyl]pyridine-3-carbaldehyde has a molecular weight of 225.29 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-ethylphenyl)methyl]pyridine-3-carbaldehyde is sourced from PubChem (CID 96603971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).