4-(6-fluoropyridine-3-carbonyl)morpholine-3-carbaldehyde

C11H11FN2O3 — CID 169206925

IUPAC4-(6-fluoropyridine-3-carbonyl)morpholine-3-carbaldehyde
SMILESO=CC1COCCN1C(=O)c1ccc(F)nc1
InChIInChI=1S/C11H11FN2O3/c12-10-2-1-8(5-13-10)11(16)14-3-4-17-7-9(14)6-15/h1-2,5-6,9H,3-4,7H2
InChIKeyCZRVYUIMQMYNOS-UHFFFAOYSA-N
MW238.22 g/mol
LogP0.26
Rot. Bonds2

About 4-(6-fluoropyridine-3-carbonyl)morpholine-3-carbaldehyde

4-(6-fluoropyridine-3-carbonyl)morpholine-3-carbaldehyde (PubChem CID 169206925) has the molecular formula C11H11FN2O3 and a molecular weight of 238.22 g/mol. Its IUPAC name is 4-(6-fluoropyridine-3-carbonyl)morpholine-3-carbaldehyde.

Molecular Properties

Compound Name4-(6-fluoropyridine-3-carbonyl)morpholine-3-carbaldehyde
PubChem CID169206925
Molecular FormulaC11H11FN2O3
Molecular Weight238.22 g/mol
Exact Mass238.08
IUPAC Name4-(6-fluoropyridine-3-carbonyl)morpholine-3-carbaldehyde
SMILESO=CC1COCCN1C(=O)c1ccc(F)nc1
InChIInChI=1S/C11H11FN2O3/c12-10-2-1-8(5-13-10)11(16)14-3-4-17-7-9(14)6-15/h1-2,5-6,9H,3-4,7H2
InChIKeyCZRVYUIMQMYNOS-UHFFFAOYSA-N
XLogP0.26
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 4-(6-fluoropyridine-3-carbonyl)morpholine-3-carbaldehyde?
The IUPAC name of 4-(6-fluoropyridine-3-carbonyl)morpholine-3-carbaldehyde (CID 169206925) is 4-(6-fluoropyridine-3-carbonyl)morpholine-3-carbaldehyde.
What is the SMILES notation for 4-(6-fluoropyridine-3-carbonyl)morpholine-3-carbaldehyde?
The canonical SMILES for 4-(6-fluoropyridine-3-carbonyl)morpholine-3-carbaldehyde is O=CC1COCCN1C(=O)c1ccc(F)nc1.
What is the InChIKey of 4-(6-fluoropyridine-3-carbonyl)morpholine-3-carbaldehyde?
The InChIKey is CZRVYUIMQMYNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3/c12-10-2-1-8(5-13-10)11(16)14-3-4-17-7-9(14)6-15/h1-2,5-6,9H,3-4,7H2.
What are the key properties of 4-(6-fluoropyridine-3-carbonyl)morpholine-3-carbaldehyde?
4-(6-fluoropyridine-3-carbonyl)morpholine-3-carbaldehyde has a molecular weight of 238.22 g/mol, XLogP of 0.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-fluoropyridine-3-carbonyl)morpholine-3-carbaldehyde is sourced from PubChem (CID 169206925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).