2-(3-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine

C16H16FN3O3 — CID 133343722

IUPAC2-(3-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine
SMILESCc1cc(N2CCOC(c3cccc(F)c3)C2)ncc1[N+](=O)[O-]
InChIInChI=1S/C16H16FN3O3/c1-11-7-16(18-9-14(11)20(21)22)19-5-6-23-15(10-19)12-3-2-4-13(17)8-12/h2-4,7-9,15H,5-6,10H2,1H3
InChIKeyLSIFZWKQXZBJPV-UHFFFAOYSA-N
MW317.32 g/mol
LogP3.02
Rot. Bonds3

About 2-(3-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine

2-(3-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine (PubChem CID 133343722) has the molecular formula C16H16FN3O3 and a molecular weight of 317.32 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine
PubChem CID133343722
Molecular FormulaC16H16FN3O3
Molecular Weight317.32 g/mol
Exact Mass317.12
IUPAC Name2-(3-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine
SMILESCc1cc(N2CCOC(c3cccc(F)c3)C2)ncc1[N+](=O)[O-]
InChIInChI=1S/C16H16FN3O3/c1-11-7-16(18-9-14(11)20(21)22)19-5-6-23-15(10-19)12-3-2-4-13(17)8-12/h2-4,7-9,15H,5-6,10H2,1H3
InChIKeyLSIFZWKQXZBJPV-UHFFFAOYSA-N
XLogP3.02
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 53.02
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-(3-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine?
The IUPAC name of 2-(3-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine (CID 133343722) is 2-(3-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine.
What is the SMILES notation for 2-(3-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine?
The canonical SMILES for 2-(3-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine is Cc1cc(N2CCOC(c3cccc(F)c3)C2)ncc1[N+](=O)[O-].
What is the InChIKey of 2-(3-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine?
The InChIKey is LSIFZWKQXZBJPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3O3/c1-11-7-16(18-9-14(11)20(21)22)19-5-6-23-15(10-19)12-3-2-4-13(17)8-12/h2-4,7-9,15H,5-6,10H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine?
2-(3-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine has a molecular weight of 317.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-(4-methyl-5-nitro-2-pyridinyl)morpholine is sourced from PubChem (CID 133343722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).