(3R)-4-(5-nitro-2-pyridinyl)-3-phenylmorpholine

C15H15N3O3 — CID 95973208

IUPAC(3R)-4-(5-nitro-2-pyridinyl)-3-phenylmorpholine
SMILESO=[N+]([O-])c1ccc(N2CCOC[C@H]2c2ccccc2)nc1
InChIInChI=1S/C15H15N3O3/c19-18(20)13-6-7-15(16-10-13)17-8-9-21-11-14(17)12-4-2-1-3-5-12/h1-7,10,14H,8-9,11H2/t14-/m0/s1
InChIKeyJCFYUVAOXMRXBR-AWEZNQCLSA-N
MW285.30 g/mol
LogP2.57
Rot. Bonds3

About (3R)-4-(5-nitro-2-pyridinyl)-3-phenylmorpholine

(3R)-4-(5-nitro-2-pyridinyl)-3-phenylmorpholine (PubChem CID 95973208) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is (3R)-4-(5-nitro-2-pyridinyl)-3-phenylmorpholine.

Molecular Properties

Compound Name(3R)-4-(5-nitro-2-pyridinyl)-3-phenylmorpholine
PubChem CID95973208
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name(3R)-4-(5-nitro-2-pyridinyl)-3-phenylmorpholine
SMILESO=[N+]([O-])c1ccc(N2CCOC[C@H]2c2ccccc2)nc1
InChIInChI=1S/C15H15N3O3/c19-18(20)13-6-7-15(16-10-13)17-8-9-21-11-14(17)12-4-2-1-3-5-12/h1-7,10,14H,8-9,11H2/t14-/m0/s1
InChIKeyJCFYUVAOXMRXBR-AWEZNQCLSA-N
XLogP2.57
TPSA68.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.57
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'}

Analyze (3R)-4-(5-nitro-2-pyridinyl)-3-phenylmorpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-methyl-1-(5-nitro-2-pyridinyl)-2-phenylpiperazine
CID 16796445
(2R)-4-methyl-1-(5-nitro-2-pyridinyl)-2-phenylpiperazine
CID 95312194
(3R)-3,4-diphenylmorpholine
CID 22860790
2-[2-(2,3-dihydro-1,4-benzodioxin-5-yl)pyrrolidin-1-yl]-5-nitropyridine
CID 133286851
2-[2-(3-fluorophenyl)-4-methylpyrrolidin-1-yl]-5-nitropyridine
CID 153404148
2-[2-(furan-2-yl)-4-methylpiperidin-1-yl]-5-nitropyridine
CID 133334695
(1S)-2-[(2R)-1-(5-nitro-2-pyridinyl)azepan-2-yl]-1-phenylethanol
CID 99775600
1,4-bis(4-nitrophenyl)-2,5-diphenylpiperazine
CID 101127745
4-[(5-methyl-2-nitrophenyl)methyl]-3-phenylmorpholine
CID 167983870
(3aS,6aS)-1-(5-nitro-2-pyridinyl)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole
CID 43599149
1-benzyl-4-(5-nitro-2-pyridinyl)piperazin-2-one
CID 57461799
3-(5-nitro-2-pyridinyl)-3-azabicyclo[3.2.0]heptane
CID 66907896

Frequently Asked Questions

What is the IUPAC name of (3R)-4-(5-nitro-2-pyridinyl)-3-phenylmorpholine?
The IUPAC name of (3R)-4-(5-nitro-2-pyridinyl)-3-phenylmorpholine (CID 95973208) is (3R)-4-(5-nitro-2-pyridinyl)-3-phenylmorpholine.
What is the SMILES notation for (3R)-4-(5-nitro-2-pyridinyl)-3-phenylmorpholine?
The canonical SMILES for (3R)-4-(5-nitro-2-pyridinyl)-3-phenylmorpholine is O=[N+]([O-])c1ccc(N2CCOC[C@H]2c2ccccc2)nc1.
What is the InChIKey of (3R)-4-(5-nitro-2-pyridinyl)-3-phenylmorpholine?
The InChIKey is JCFYUVAOXMRXBR-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15N3O3/c19-18(20)13-6-7-15(16-10-13)17-8-9-21-11-14(17)12-4-2-1-3-5-12/h1-7,10,14H,8-9,11H2/t14-/m0/s1.
What are the key properties of (3R)-4-(5-nitro-2-pyridinyl)-3-phenylmorpholine?
(3R)-4-(5-nitro-2-pyridinyl)-3-phenylmorpholine has a molecular weight of 285.30 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-(5-nitro-2-pyridinyl)-3-phenylmorpholine is sourced from PubChem (CID 95973208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).