2-(2-methoxyethoxy)pyridine-4-carbaldehyde

C9H11NO3 — CID 145045484

IUPAC2-(2-methoxyethoxy)pyridine-4-carbaldehyde
SMILESCOCCOc1cc(C=O)ccn1
InChIInChI=1S/C9H11NO3/c1-12-4-5-13-9-6-8(7-11)2-3-10-9/h2-3,6-7H,4-5H2,1H3
InChIKeyIOAMMUCEOCTURK-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.92
Rot. Bonds5

About 2-(2-methoxyethoxy)pyridine-4-carbaldehyde

2-(2-methoxyethoxy)pyridine-4-carbaldehyde (PubChem CID 145045484) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 2-(2-methoxyethoxy)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name2-(2-methoxyethoxy)pyridine-4-carbaldehyde
PubChem CID145045484
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name2-(2-methoxyethoxy)pyridine-4-carbaldehyde
SMILESCOCCOc1cc(C=O)ccn1
InChIInChI=1S/C9H11NO3/c1-12-4-5-13-9-6-8(7-11)2-3-10-9/h2-3,6-7H,4-5H2,1H3
InChIKeyIOAMMUCEOCTURK-UHFFFAOYSA-N
XLogP0.92
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-(2-methoxyethoxy)pyridine
CID 71303293
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]pyridin-4-amine
CID 104559850
ethane;2-(2-methoxyethoxy)-4-propan-2-ylpyridine
CID 176699176
2-(difluoromethoxy)pyridine-4-carbaldehyde
CID 71302320
3-iodo-4-(2-methoxyethoxy)benzaldehyde
CID 169488676
3-bromo-4-(2-methoxyethoxy)benzaldehyde
CID 60698673
N-methoxy-2-(2-methoxyethoxy)-N-methylpyridine-4-carboxamide
CID 119100133
3-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzaldehyde
CID 87722471
2-(2-methoxyethoxy)-N-pyrimidin-2-ylpyridine-4-carboxamide
CID 119100115
4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3-methylbenzaldehyde
CID 104562818
2-[2-(2-methoxyethoxy)ethoxy]terephthalaldehyde
CID 175893461
6-(2-methoxyethoxy)-5-methylpyridine-3-carbaldehyde
CID 80631733

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethoxy)pyridine-4-carbaldehyde?
The IUPAC name of 2-(2-methoxyethoxy)pyridine-4-carbaldehyde (CID 145045484) is 2-(2-methoxyethoxy)pyridine-4-carbaldehyde.
What is the SMILES notation for 2-(2-methoxyethoxy)pyridine-4-carbaldehyde?
The canonical SMILES for 2-(2-methoxyethoxy)pyridine-4-carbaldehyde is COCCOc1cc(C=O)ccn1.
What is the InChIKey of 2-(2-methoxyethoxy)pyridine-4-carbaldehyde?
The InChIKey is IOAMMUCEOCTURK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-12-4-5-13-9-6-8(7-11)2-3-10-9/h2-3,6-7H,4-5H2,1H3.
What are the key properties of 2-(2-methoxyethoxy)pyridine-4-carbaldehyde?
2-(2-methoxyethoxy)pyridine-4-carbaldehyde has a molecular weight of 181.19 g/mol, XLogP of 0.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethoxy)pyridine-4-carbaldehyde is sourced from PubChem (CID 145045484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).