2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]acetaldehyde

C8H8FNO2 — CID 142585543

IUPAC2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]acetaldehyde
SMILESCc1nc(F)ccc1OCC=O
InChIInChI=1S/C8H8FNO2/c1-6-7(12-5-4-11)2-3-8(9)10-6/h2-4H,5H2,1H3
InChIKeyMZKBMWIJZVMJAB-UHFFFAOYSA-N
MW169.15 g/mol
LogP1.11
Rot. Bonds3

About 2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]acetaldehyde

2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]acetaldehyde (PubChem CID 142585543) has the molecular formula C8H8FNO2 and a molecular weight of 169.15 g/mol. Its IUPAC name is 2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]acetaldehyde.

Molecular Properties

Compound Name2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]acetaldehyde
PubChem CID142585543
Molecular FormulaC8H8FNO2
Molecular Weight169.15 g/mol
Exact Mass169.05
IUPAC Name2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]acetaldehyde
SMILESCc1nc(F)ccc1OCC=O
InChIInChI=1S/C8H8FNO2/c1-6-7(12-5-4-11)2-3-8(9)10-6/h2-4H,5H2,1H3
InChIKeyMZKBMWIJZVMJAB-UHFFFAOYSA-N
XLogP1.11
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]acetaldehyde?
The IUPAC name of 2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]acetaldehyde (CID 142585543) is 2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]acetaldehyde.
What is the SMILES notation for 2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]acetaldehyde?
The canonical SMILES for 2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]acetaldehyde is Cc1nc(F)ccc1OCC=O.
What is the InChIKey of 2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]acetaldehyde?
The InChIKey is MZKBMWIJZVMJAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO2/c1-6-7(12-5-4-11)2-3-8(9)10-6/h2-4H,5H2,1H3.
What are the key properties of 2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]acetaldehyde?
2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]acetaldehyde has a molecular weight of 169.15 g/mol, XLogP of 1.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-fluoro-2-methyl-3-pyridinyl)oxy]acetaldehyde is sourced from PubChem (CID 142585543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).