6-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-3-carbaldehyde

C20H16N2O2 — CID 102160663

IUPAC6-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-3-carbaldehyde
SMILESCOc1ccc(/C=C/c2ccc(-c3ccc(C=O)cn3)nc2)cc1
InChIInChI=1S/C20H16N2O2/c1-24-18-8-4-15(5-9-18)2-3-16-6-10-19(21-12-16)20-11-7-17(14-23)13-22-20/h2-14H,1H3/b3-2+
InChIKeyRGEIQNFUOTWNKV-NSCUHMNNSA-N
MW316.36 g/mol
LogP4.14
Rot. Bonds5

About 6-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-3-carbaldehyde

6-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-3-carbaldehyde (PubChem CID 102160663) has the molecular formula C20H16N2O2 and a molecular weight of 316.36 g/mol. Its IUPAC name is 6-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-3-carbaldehyde
PubChem CID102160663
Molecular FormulaC20H16N2O2
Molecular Weight316.36 g/mol
Exact Mass316.12
IUPAC Name6-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-3-carbaldehyde
SMILESCOc1ccc(/C=C/c2ccc(-c3ccc(C=O)cn3)nc2)cc1
InChIInChI=1S/C20H16N2O2/c1-24-18-8-4-15(5-9-18)2-3-16-6-10-19(21-12-16)20-11-7-17(14-23)13-22-20/h2-14H,1H3/b3-2+
InChIKeyRGEIQNFUOTWNKV-NSCUHMNNSA-N
XLogP4.14
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(E)-2-[3-[(E)-2-[3,5-bis[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]-5-[(E)-2-(4-formylphenyl)ethenyl]phenyl]ethenyl]benzaldehyde
CID 102018921
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
6-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
CID 80632122
6-(4-methoxy-N-methylanilino)pyridine-3-carbaldehyde
CID 80638947
6-methoxypyridine-3-carbaldehyde
CID 3364576
1-methoxy-4-[2-[4-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]phenyl]ethenyl]benzene
CID 54482883
4-[2-(4-methoxyphenyl)ethyl]benzaldehyde
CID 20510517
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine
CID 54579890
5-[(Z)-2-(4-ethoxyphenyl)ethenyl]-2-pyridin-2-ylpyridine
CID 142200300
1-ethyl-4-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 21449166
(E)-3-(4-methoxyphenyl)-N-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]prop-2-enamide
CID 102270516

Frequently Asked Questions

What is the IUPAC name of 6-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-3-carbaldehyde?
The IUPAC name of 6-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-3-carbaldehyde (CID 102160663) is 6-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-3-carbaldehyde is COc1ccc(/C=C/c2ccc(-c3ccc(C=O)cn3)nc2)cc1.
What is the InChIKey of 6-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-3-carbaldehyde?
The InChIKey is RGEIQNFUOTWNKV-NSCUHMNNSA-N. The full InChI is InChI=1S/C20H16N2O2/c1-24-18-8-4-15(5-9-18)2-3-16-6-10-19(21-12-16)20-11-7-17(14-23)13-22-20/h2-14H,1H3/b3-2+.
What are the key properties of 6-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-3-carbaldehyde?
6-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-3-carbaldehyde has a molecular weight of 316.36 g/mol, XLogP of 4.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine-3-carbaldehyde is sourced from PubChem (CID 102160663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).