4-(2-chloro-6-nitrophenyl)morpholine

C10H11ClN2O3 — CID 2885594

IUPAC4-(2-chloro-6-nitrophenyl)morpholine
SMILESO=[N+]([O-])c1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C10H11ClN2O3/c11-8-2-1-3-9(13(14)15)10(8)12-4-6-16-7-5-12/h1-3H,4-7H2
InChIKeyJOFVWYPOMFXUCI-UHFFFAOYSA-N
MW242.66 g/mol
LogP2.08
Rot. Bonds2

About 4-(2-chloro-6-nitrophenyl)morpholine

4-(2-chloro-6-nitrophenyl)morpholine (PubChem CID 2885594) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is 4-(2-chloro-6-nitrophenyl)morpholine.

Molecular Properties

Compound Name4-(2-chloro-6-nitrophenyl)morpholine
PubChem CID2885594
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name4-(2-chloro-6-nitrophenyl)morpholine
SMILESO=[N+]([O-])c1cccc(Cl)c1N1CCOCC1
InChIInChI=1S/C10H11ClN2O3/c11-8-2-1-3-9(13(14)15)10(8)12-4-6-16-7-5-12/h1-3H,4-7H2
InChIKeyJOFVWYPOMFXUCI-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'}

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Related Compounds

4-(5-Chloro-2-nitrophenyl)morpholine
CID 2829611
3-Chloro-2-(morpholin-4-yl)aniline
CID 952393
4-(4-Chloro-2-nitrophenyl)morpholine
CID 522191
5-Chloro-2-(morpholin-4-yl)aniline
CID 846189
1-(5-Chloro-2-nitrophenyl)piperidine
CID 3096079
4-Chloro-5-morpholino-2-nitroaniline
CID 3779330
1-Chloro-2,4-dimorpholino-5-nitrobenzene
CID 2797445
1-(2-Chloro-4-nitrophenyl)-4-methylpiperazine
CID 2837294
4-(2-Nitrophenyl)morpholine
CID 96365
Morpholine, 4-(2-chloro-4-nitrophenyl)-
CID 108711
(2-Chloro-4-nitrophenyl)(3-morpholin-4-ylpropyl)amine
CID 2870846
1-(2-Chloro-6-nitrophenyl)-4-methylsulfonylpiperazine
CID 2888420

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-nitrophenyl)morpholine?
The IUPAC name of 4-(2-chloro-6-nitrophenyl)morpholine (CID 2885594) is 4-(2-chloro-6-nitrophenyl)morpholine.
What is the SMILES notation for 4-(2-chloro-6-nitrophenyl)morpholine?
The canonical SMILES for 4-(2-chloro-6-nitrophenyl)morpholine is O=[N+]([O-])c1cccc(Cl)c1N1CCOCC1.
What is the InChIKey of 4-(2-chloro-6-nitrophenyl)morpholine?
The InChIKey is JOFVWYPOMFXUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c11-8-2-1-3-9(13(14)15)10(8)12-4-6-16-7-5-12/h1-3H,4-7H2.
What are the key properties of 4-(2-chloro-6-nitrophenyl)morpholine?
4-(2-chloro-6-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-(2-chloro-6-nitrophenyl)morpholine is sourced from PubChem (CID 2885594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).