(2S)-2-(4-fluorophenyl)-4-(3-nitro-2-pyridinyl)morpholine

C15H14FN3O3 — CID 36726718

IUPAC(2S)-2-(4-fluorophenyl)-4-(3-nitro-2-pyridinyl)morpholine
SMILESO=[N+]([O-])c1cccnc1N1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C15H14FN3O3/c16-12-5-3-11(4-6-12)14-10-18(8-9-22-14)15-13(19(20)21)2-1-7-17-15/h1-7,14H,8-10H2/t14-/m1/s1
InChIKeyRLTHZIORZHWHLJ-CQSZACIVSA-N
MW303.29 g/mol
LogP2.71
Rot. Bonds3

About (2S)-2-(4-fluorophenyl)-4-(3-nitro-2-pyridinyl)morpholine

(2S)-2-(4-fluorophenyl)-4-(3-nitro-2-pyridinyl)morpholine (PubChem CID 36726718) has the molecular formula C15H14FN3O3 and a molecular weight of 303.29 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-4-(3-nitro-2-pyridinyl)morpholine.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-4-(3-nitro-2-pyridinyl)morpholine
PubChem CID36726718
Molecular FormulaC15H14FN3O3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name(2S)-2-(4-fluorophenyl)-4-(3-nitro-2-pyridinyl)morpholine
SMILESO=[N+]([O-])c1cccnc1N1CCO[C@@H](c2ccc(F)cc2)C1
InChIInChI=1S/C15H14FN3O3/c16-12-5-3-11(4-6-12)14-10-18(8-9-22-14)15-13(19(20)21)2-1-7-17-15/h1-7,14H,8-10H2/t14-/m1/s1
InChIKeyRLTHZIORZHWHLJ-CQSZACIVSA-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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Related Compounds

3-[2-(2-Methyl-5-nitro-imidazol-1-yl)ethoxy-phenyl-methyl]pyridine
CID 5279028
1-[2-[bis(4-Fluorophenyl)methoxy]ethyl]-4-(pyridinyl)-piperazine
CID 4913097
(S)-N-phenyl-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24954444
(S)-N-(4-fluorophenyl)-5-((2-phenylmorpholino)methyl)pyridin-2-amine
CID 24955525
(6S)-6-[[6-(4-fluorophenyl)-3-pyridyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 49851291
(6S)-6-[[4-(5-fluoro-2-pyridyl)phenyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 49851927
(6S)-6-[[2-fluoro-4-[5-(trifluoromethyl)-2-pyridyl]phenyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 56639759
(6S)-6-[[2-(4-fluorophenyl)-4-pyridyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 49850698
(6S)-6-[[5-(4-fluorophenyl)-3-pyridyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 49850796
(6S)-6-[[4-(4-fluorophenyl)-2-pyridyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 49850898
(6S)-6-[[5-(4-fluorophenyl)-2-pyridyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 49851010
(6S)-6-[[3-(6-fluoro-3-pyridyl)phenyl]methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
CID 49851712

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-4-(3-nitro-2-pyridinyl)morpholine?
The IUPAC name of (2S)-2-(4-fluorophenyl)-4-(3-nitro-2-pyridinyl)morpholine (CID 36726718) is (2S)-2-(4-fluorophenyl)-4-(3-nitro-2-pyridinyl)morpholine.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-4-(3-nitro-2-pyridinyl)morpholine?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-4-(3-nitro-2-pyridinyl)morpholine is O=[N+]([O-])c1cccnc1N1CCO[C@@H](c2ccc(F)cc2)C1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-4-(3-nitro-2-pyridinyl)morpholine?
The InChIKey is RLTHZIORZHWHLJ-CQSZACIVSA-N. The full InChI is InChI=1S/C15H14FN3O3/c16-12-5-3-11(4-6-12)14-10-18(8-9-22-14)15-13(19(20)21)2-1-7-17-15/h1-7,14H,8-10H2/t14-/m1/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-4-(3-nitro-2-pyridinyl)morpholine?
(2S)-2-(4-fluorophenyl)-4-(3-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 (2S)-2-(4-fluorophenyl)-4-(3-nitro-2-pyridinyl)morpholine is sourced from PubChem (CID 36726718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).