2-(4-fluorophenyl)-4-(5-nitro-2-pyridinyl)morpholine

C15H14FN3O3 — CID 42949543

IUPAC2-(4-fluorophenyl)-4-(5-nitro-2-pyridinyl)morpholine
SMILESO=[N+]([O-])c1ccc(N2CCOC(c3ccc(F)cc3)C2)nc1
InChIInChI=1S/C15H14FN3O3/c16-12-3-1-11(2-4-12)14-10-18(7-8-22-14)15-6-5-13(9-17-15)19(20)21/h1-6,9,14H,7-8,10H2
InChIKeyAPKVWZGRBCTVFG-UHFFFAOYSA-N
MW303.29 g/mol
LogP2.71
Rot. Bonds3

About 2-(4-fluorophenyl)-4-(5-nitro-2-pyridinyl)morpholine

2-(4-fluorophenyl)-4-(5-nitro-2-pyridinyl)morpholine (PubChem CID 42949543) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-4-(5-nitro-2-pyridinyl)morpholine.

Molecular Properties

Compound Name2-(4-fluorophenyl)-4-(5-nitro-2-pyridinyl)morpholine
PubChem CID42949543
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name2-(4-fluorophenyl)-4-(5-nitro-2-pyridinyl)morpholine
SMILESO=[N+]([O-])c1ccc(N2CCOC(c3ccc(F)cc3)C2)nc1
InChIInChI=1S/C15H14FN3O3/c16-12-3-1-11(2-4-12)14-10-18(7-8-22-14)15-6-5-13(9-17-15)19(20)21/h1-6,9,14H,7-8,10H2
InChIKeyAPKVWZGRBCTVFG-UHFFFAOYSA-N
XLogP2.71
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 2-(4-fluorophenyl)-4-(5-nitro-2-pyridinyl)morpholine?
The IUPAC name of 2-(4-fluorophenyl)-4-(5-nitro-2-pyridinyl)morpholine (CID 42949543) is 2-(4-fluorophenyl)-4-(5-nitro-2-pyridinyl)morpholine.
What is the SMILES notation for 2-(4-fluorophenyl)-4-(5-nitro-2-pyridinyl)morpholine?
The canonical SMILES for 2-(4-fluorophenyl)-4-(5-nitro-2-pyridinyl)morpholine is O=[N+]([O-])c1ccc(N2CCOC(c3ccc(F)cc3)C2)nc1.
What is the InChIKey of 2-(4-fluorophenyl)-4-(5-nitro-2-pyridinyl)morpholine?
The InChIKey is APKVWZGRBCTVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3/c16-12-3-1-11(2-4-12)14-10-18(7-8-22-14)15-6-5-13(9-17-15)19(20)21/h1-6,9,14H,7-8,10H2.
What are the key properties of 2-(4-fluorophenyl)-4-(5-nitro-2-pyridinyl)morpholine?
2-(4-fluorophenyl)-4-(5-nitro-2-pyridinyl)morpholine has a molecular weight of 303.29 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-4-(5-nitro-2-pyridinyl)morpholine is sourced from PubChem (CID 42949543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).