4-[[2-fluoro-4-[(6-nitro-3-pyridinyl)oxy]phenyl]methyl]morpholine

C16H16FN3O4 — CID 69061203

IUPAC4-[[2-fluoro-4-[(6-nitro-3-pyridinyl)oxy]phenyl]methyl]morpholine
SMILESO=[N+]([O-])c1ccc(Oc2ccc(CN3CCOCC3)c(F)c2)cn1
InChIInChI=1S/C16H16FN3O4/c17-15-9-13(24-14-3-4-16(18-10-14)20(21)22)2-1-12(15)11-19-5-7-23-8-6-19/h1-4,9-10H,5-8,11H2
InChIKeyGLAVJHREMSPNGK-UHFFFAOYSA-N
MW333.32 g/mol
LogP2.75
Rot. Bonds5

About 4-[[2-fluoro-4-[(6-nitro-3-pyridinyl)oxy]phenyl]methyl]morpholine

4-[[2-fluoro-4-[(6-nitro-3-pyridinyl)oxy]phenyl]methyl]morpholine (PubChem CID 69061203) has the molecular formula C16H16FN3O4 and a molecular weight of 333.32 g/mol. Its IUPAC name is 4-[[2-fluoro-4-[(6-nitro-3-pyridinyl)oxy]phenyl]methyl]morpholine.

Molecular Properties

Compound Name4-[[2-fluoro-4-[(6-nitro-3-pyridinyl)oxy]phenyl]methyl]morpholine
PubChem CID69061203
Molecular FormulaC16H16FN3O4
Molecular Weight333.32 g/mol
Exact Mass333.11
IUPAC Name4-[[2-fluoro-4-[(6-nitro-3-pyridinyl)oxy]phenyl]methyl]morpholine
SMILESO=[N+]([O-])c1ccc(Oc2ccc(CN3CCOCC3)c(F)c2)cn1
InChIInChI=1S/C16H16FN3O4/c17-15-9-13(24-14-3-4-16(18-10-14)20(21)22)2-1-12(15)11-19-5-7-23-8-6-19/h1-4,9-10H,5-8,11H2
InChIKeyGLAVJHREMSPNGK-UHFFFAOYSA-N
XLogP2.75
TPSA77.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.32
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-fluoro-4-[(6-nitro-3-pyridinyl)oxy]phenyl]methyl]morpholine?
The IUPAC name of 4-[[2-fluoro-4-[(6-nitro-3-pyridinyl)oxy]phenyl]methyl]morpholine (CID 69061203) is 4-[[2-fluoro-4-[(6-nitro-3-pyridinyl)oxy]phenyl]methyl]morpholine.
What is the SMILES notation for 4-[[2-fluoro-4-[(6-nitro-3-pyridinyl)oxy]phenyl]methyl]morpholine?
The canonical SMILES for 4-[[2-fluoro-4-[(6-nitro-3-pyridinyl)oxy]phenyl]methyl]morpholine is O=[N+]([O-])c1ccc(Oc2ccc(CN3CCOCC3)c(F)c2)cn1.
What is the InChIKey of 4-[[2-fluoro-4-[(6-nitro-3-pyridinyl)oxy]phenyl]methyl]morpholine?
The InChIKey is GLAVJHREMSPNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O4/c17-15-9-13(24-14-3-4-16(18-10-14)20(21)22)2-1-12(15)11-19-5-7-23-8-6-19/h1-4,9-10H,5-8,11H2.
What are the key properties of 4-[[2-fluoro-4-[(6-nitro-3-pyridinyl)oxy]phenyl]methyl]morpholine?
4-[[2-fluoro-4-[(6-nitro-3-pyridinyl)oxy]phenyl]methyl]morpholine has a molecular weight of 333.32 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-fluoro-4-[(6-nitro-3-pyridinyl)oxy]phenyl]methyl]morpholine is sourced from PubChem (CID 69061203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).