2-methoxy-4-[(E)-2-phenylethenyl]pyridine-3-carbaldehyde

C15H13NO2 — CID 10847584

IUPAC2-methoxy-4-[(E)-2-phenylethenyl]pyridine-3-carbaldehyde
SMILESCOc1nccc(/C=C/c2ccccc2)c1C=O
InChIInChI=1S/C15H13NO2/c1-18-15-14(11-17)13(9-10-16-15)8-7-12-5-3-2-4-6-12/h2-11H,1H3/b8-7+
InChIKeyVLRRYFVTOFPJOD-BQYQJAHWSA-N
MW239.27 g/mol
LogP3.07
Rot. Bonds4

About 2-methoxy-4-[(E)-2-phenylethenyl]pyridine-3-carbaldehyde

2-methoxy-4-[(E)-2-phenylethenyl]pyridine-3-carbaldehyde (PubChem CID 10847584) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-methoxy-4-[(E)-2-phenylethenyl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-methoxy-4-[(E)-2-phenylethenyl]pyridine-3-carbaldehyde
PubChem CID10847584
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name2-methoxy-4-[(E)-2-phenylethenyl]pyridine-3-carbaldehyde
SMILESCOc1nccc(/C=C/c2ccccc2)c1C=O
InChIInChI=1S/C15H13NO2/c1-18-15-14(11-17)13(9-10-16-15)8-7-12-5-3-2-4-6-12/h2-11H,1H3/b8-7+
InChIKeyVLRRYFVTOFPJOD-BQYQJAHWSA-N
XLogP3.07
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-4-[(Z)-2-phenylethenyl]quinoline
CID 54610787
[3-(2-phenylethenyl)-2-pyridinyl] acetate
CID 175048003
(E)-3-(3-fluoro-2-methoxy-4-pyridinyl)prop-2-enoic acid
CID 130506861
tris(4-[(E)-2-phenylethenyl]-2-[4-[(E)-2-phenylethenyl]-2-pyridinyl]pyridine);ruthenium
CID 156734955
2-(3-methoxypyrazin-2-yl)benzaldehyde
CID 104516168
2-methoxy-3-(trifluoromethyl)pyridine-4-carbaldehyde
CID 118704417
2,3-bis[(E)-2-phenylethenyl]pyrazine
CID 15654808
3-methoxy-5-[(E)-2-phenylethenyl]-1H-pyrrole-2-carbaldehyde
CID 88571821
3-(2-methoxy-3-pyridinyl)prop-2-enal
CID 169458903
4-[3-(1,3-dioxoisoindol-2-yl)propyl]-2-methoxypyridine-3-carbaldehyde
CID 88989076
dimethyl 3-[(E)-2-phenylethenyl]pyridine-2,4-dicarboxylate
CID 50915747
2,4-dimethoxy-5-[(Z)-2-pyridin-4-ylethenyl]pyrimidine
CID 11694423

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[(E)-2-phenylethenyl]pyridine-3-carbaldehyde?
The IUPAC name of 2-methoxy-4-[(E)-2-phenylethenyl]pyridine-3-carbaldehyde (CID 10847584) is 2-methoxy-4-[(E)-2-phenylethenyl]pyridine-3-carbaldehyde.
What is the SMILES notation for 2-methoxy-4-[(E)-2-phenylethenyl]pyridine-3-carbaldehyde?
The canonical SMILES for 2-methoxy-4-[(E)-2-phenylethenyl]pyridine-3-carbaldehyde is COc1nccc(/C=C/c2ccccc2)c1C=O.
What is the InChIKey of 2-methoxy-4-[(E)-2-phenylethenyl]pyridine-3-carbaldehyde?
The InChIKey is VLRRYFVTOFPJOD-BQYQJAHWSA-N. The full InChI is InChI=1S/C15H13NO2/c1-18-15-14(11-17)13(9-10-16-15)8-7-12-5-3-2-4-6-12/h2-11H,1H3/b8-7+.
What are the key properties of 2-methoxy-4-[(E)-2-phenylethenyl]pyridine-3-carbaldehyde?
2-methoxy-4-[(E)-2-phenylethenyl]pyridine-3-carbaldehyde has a molecular weight of 239.27 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[(E)-2-phenylethenyl]pyridine-3-carbaldehyde is sourced from PubChem (CID 10847584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).