2-ethoxy-6-fluoropyridine-3-carbaldehyde

C8H8FNO2 — CID 133054221

IUPAC2-ethoxy-6-fluoropyridine-3-carbaldehyde
SMILESCCOc1nc(F)ccc1C=O
InChIInChI=1S/C8H8FNO2/c1-2-12-8-6(5-11)3-4-7(9)10-8/h3-5H,2H2,1H3
InChIKeyCZZWDLYCHXZDCN-UHFFFAOYSA-N
MW169.16 g/mol
LogP1.43
Rot. Bonds3

About 2-ethoxy-6-fluoropyridine-3-carbaldehyde

2-ethoxy-6-fluoropyridine-3-carbaldehyde (PubChem CID 133054221) has the molecular formula C8H8FNO2 and a molecular weight of 169.16 g/mol. Its IUPAC name is 2-ethoxy-6-fluoropyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-ethoxy-6-fluoropyridine-3-carbaldehyde
PubChem CID133054221
Molecular FormulaC8H8FNO2
Molecular Weight169.16 g/mol
Exact Mass169.05
IUPAC Name2-ethoxy-6-fluoropyridine-3-carbaldehyde
SMILESCCOc1nc(F)ccc1C=O
InChIInChI=1S/C8H8FNO2/c1-2-12-8-6(5-11)3-4-7(9)10-8/h3-5H,2H2,1H3
InChIKeyCZZWDLYCHXZDCN-UHFFFAOYSA-N
XLogP1.43
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.16
LogP ≤ 51.43
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-ethoxy-6-fluoropyridine-3-carbaldehyde?
The IUPAC name of 2-ethoxy-6-fluoropyridine-3-carbaldehyde (CID 133054221) is 2-ethoxy-6-fluoropyridine-3-carbaldehyde.
What is the SMILES notation for 2-ethoxy-6-fluoropyridine-3-carbaldehyde?
The canonical SMILES for 2-ethoxy-6-fluoropyridine-3-carbaldehyde is CCOc1nc(F)ccc1C=O.
What is the InChIKey of 2-ethoxy-6-fluoropyridine-3-carbaldehyde?
The InChIKey is CZZWDLYCHXZDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO2/c1-2-12-8-6(5-11)3-4-7(9)10-8/h3-5H,2H2,1H3.
What are the key properties of 2-ethoxy-6-fluoropyridine-3-carbaldehyde?
2-ethoxy-6-fluoropyridine-3-carbaldehyde has a molecular weight of 169.16 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-fluoropyridine-3-carbaldehyde is sourced from PubChem (CID 133054221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).