4-(5-chloro-2-nitrophenyl)morpholine

C10H11ClN2O3 — CID 2829611

IUPAC4-(5-chloro-2-nitrophenyl)morpholine
SMILESO=[N+]([O-])c1ccc(Cl)cc1N1CCOCC1
InChIInChI=1S/C10H11ClN2O3/c11-8-1-2-9(13(14)15)10(7-8)12-3-5-16-6-4-12/h1-2,7H,3-6H2
InChIKeyBDBMOQCOLZWAIO-UHFFFAOYSA-N
MW242.66 g/mol
LogP2.08
Rot. Bonds2

About 4-(5-chloro-2-nitrophenyl)morpholine

4-(5-chloro-2-nitrophenyl)morpholine (PubChem CID 2829611) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is 4-(5-chloro-2-nitrophenyl)morpholine.

Molecular Properties

Compound Name4-(5-chloro-2-nitrophenyl)morpholine
PubChem CID2829611
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name4-(5-chloro-2-nitrophenyl)morpholine
SMILESO=[N+]([O-])c1ccc(Cl)cc1N1CCOCC1
InChIInChI=1S/C10H11ClN2O3/c11-8-1-2-9(13(14)15)10(7-8)12-3-5-16-6-4-12/h1-2,7H,3-6H2
InChIKeyBDBMOQCOLZWAIO-UHFFFAOYSA-N
XLogP2.08
TPSA55.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(5-chloro-2-nitrophenyl)morpholine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-nitrophenyl)morpholine?
The IUPAC name of 4-(5-chloro-2-nitrophenyl)morpholine (CID 2829611) is 4-(5-chloro-2-nitrophenyl)morpholine.
What is the SMILES notation for 4-(5-chloro-2-nitrophenyl)morpholine?
The canonical SMILES for 4-(5-chloro-2-nitrophenyl)morpholine is O=[N+]([O-])c1ccc(Cl)cc1N1CCOCC1.
What is the InChIKey of 4-(5-chloro-2-nitrophenyl)morpholine?
The InChIKey is BDBMOQCOLZWAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c11-8-1-2-9(13(14)15)10(7-8)12-3-5-16-6-4-12/h1-2,7H,3-6H2.
What are the key properties of 4-(5-chloro-2-nitrophenyl)morpholine?
4-(5-chloro-2-nitrophenyl)morpholine has a molecular weight of 242.66 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-nitrophenyl)morpholine is sourced from PubChem (CID 2829611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).