6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carbaldehyde

C15H15NO3 — CID 80631991

IUPAC6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carbaldehyde
SMILESCOCCc1ccc(Oc2ccc(C=O)cn2)cc1
InChIInChI=1S/C15H15NO3/c1-18-9-8-12-2-5-14(6-3-12)19-15-7-4-13(11-17)10-16-15/h2-7,10-11H,8-9H2,1H3
InChIKeySNMAREQLVTZDSI-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.88
Rot. Bonds6

About 6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carbaldehyde

6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carbaldehyde (PubChem CID 80631991) has the molecular formula C15H15NO3 and a molecular weight of 257.29 g/mol. Its IUPAC name is 6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carbaldehyde.

Molecular Properties

Compound Name6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carbaldehyde
PubChem CID80631991
Molecular FormulaC15H15NO3
Molecular Weight257.29 g/mol
Exact Mass257.11
IUPAC Name6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carbaldehyde
SMILESCOCCc1ccc(Oc2ccc(C=O)cn2)cc1
InChIInChI=1S/C15H15NO3/c1-18-9-8-12-2-5-14(6-3-12)19-15-7-4-13(11-17)10-16-15/h2-7,10-11H,8-9H2,1H3
InChIKeySNMAREQLVTZDSI-UHFFFAOYSA-N
XLogP2.88
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.88
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

6-(4-ethylphenoxy)pyridine-3-carbaldehyde
CID 80631614
5-bromo-2-[4-(2-methoxyethyl)phenoxy]pyridine
CID 61373244
6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carbonitrile
CID 43244931
6-(4-iodophenoxy)pyridine-3-carbaldehyde
CID 80632740
6-(4-propan-2-ylphenoxy)pyridine-3-carbaldehyde
CID 80632252
6-(4-phenylmethoxyphenoxy)pyridine-3-carbaldehyde
CID 172879447
3-chloro-4-[4-(2-methoxyethyl)phenoxy]benzaldehyde
CID 81151886
6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carboximidamide
CID 43352096
6-[(4-methoxyphenyl)methoxy]pyridine-3-carbaldehyde
CID 80632122
6-(4-cyclopropylphenoxy)pyridine-3-carbaldehyde
CID 118113115
6-methoxypyridine-3-carbaldehyde
CID 3364576
2-[4-(2-methoxyethyl)phenoxy]-5-methylpyridin-4-amine
CID 83267065

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carbaldehyde?
The IUPAC name of 6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carbaldehyde (CID 80631991) is 6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carbaldehyde.
What is the SMILES notation for 6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carbaldehyde?
The canonical SMILES for 6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carbaldehyde is COCCc1ccc(Oc2ccc(C=O)cn2)cc1.
What is the InChIKey of 6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carbaldehyde?
The InChIKey is SNMAREQLVTZDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3/c1-18-9-8-12-2-5-14(6-3-12)19-15-7-4-13(11-17)10-16-15/h2-7,10-11H,8-9H2,1H3.
What are the key properties of 6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carbaldehyde?
6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carbaldehyde has a molecular weight of 257.29 g/mol, XLogP of 2.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methoxyethyl)phenoxy]pyridine-3-carbaldehyde is sourced from PubChem (CID 80631991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).