5-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde

C14H13NO3 — CID 113469448

IUPAC5-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
SMILESCOc1ccc(COc2cncc(C=O)c2)cc1
InChIInChI=1S/C14H13NO3/c1-17-13-4-2-11(3-5-13)10-18-14-6-12(9-16)7-15-8-14/h2-9H,10H2,1H3
InChIKeyVNQBSJBFMZWSQG-UHFFFAOYSA-N
MW243.26 g/mol
LogP2.48
Rot. Bonds5

About 5-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde

5-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde (PubChem CID 113469448) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
PubChem CID113469448
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name5-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
SMILESCOc1ccc(COc2cncc(C=O)c2)cc1
InChIInChI=1S/C14H13NO3/c1-17-13-4-2-11(3-5-13)10-18-14-6-12(9-16)7-15-8-14/h2-9H,10H2,1H3
InChIKeyVNQBSJBFMZWSQG-UHFFFAOYSA-N
XLogP2.48
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 52.48
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

3-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 14972990
3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine
CID 22607567
6-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
CID 80632122
4-[(4-methoxyphenyl)methoxy]-3,5-dimethylbenzaldehyde
CID 28880560
3-formyl-5-[(4-methoxyphenyl)methoxy]benzonitrile
CID 87548973
4-[(4-methoxyphenyl)methoxy]-2,6-dimethylbenzaldehyde
CID 89075943
5-(4-propylphenoxy)pyridine-3-carbaldehyde
CID 113469461
3-chloro-5-[(4-methoxyphenyl)methoxy]pyridine-4-carbaldehyde
CID 22607272
2-chloro-4-[(4-methoxyphenyl)methoxy]benzaldehyde
CID 89247022
2,3-bis[[4-[(4-methoxyphenyl)methoxy]phenyl]methylidene]butanedial
CID 72968223
3,5-bis[(4-ethoxyphenyl)methoxy]benzaldehyde
CID 25120528
4-[(4-methoxyphenyl)methoxy]pyridine
CID 54365889

Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde?
The IUPAC name of 5-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde (CID 113469448) is 5-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde.
What is the SMILES notation for 5-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde?
The canonical SMILES for 5-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde is COc1ccc(COc2cncc(C=O)c2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde?
The InChIKey is VNQBSJBFMZWSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-17-13-4-2-11(3-5-13)10-18-14-6-12(9-16)7-15-8-14/h2-9H,10H2,1H3.
What are the key properties of 5-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde?
5-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde has a molecular weight of 243.26 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde is sourced from PubChem (CID 113469448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).