4-chloro-5-morpholin-4-yl-2-nitroaniline

C10H12ClN3O3 — CID 3779330

IUPAC4-chloro-5-morpholin-4-yl-2-nitroaniline
SMILESNc1cc(N2CCOCC2)c(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C10H12ClN3O3/c11-7-5-10(14(15)16)8(12)6-9(7)13-1-3-17-4-2-13/h5-6H,1-4,12H2
InChIKeyMIGKKDPFXLVZTK-UHFFFAOYSA-N
MW257.68 g/mol
LogP1.67
Rot. Bonds2

About 4-chloro-5-morpholin-4-yl-2-nitroaniline

4-chloro-5-morpholin-4-yl-2-nitroaniline (PubChem CID 3779330) has the molecular formula C10H12ClN3O3 and a molecular weight of 257.68 g/mol. Its IUPAC name is 4-chloro-5-morpholin-4-yl-2-nitroaniline.

Molecular Properties

Compound Name4-chloro-5-morpholin-4-yl-2-nitroaniline
PubChem CID3779330
Molecular FormulaC10H12ClN3O3
Molecular Weight257.68 g/mol
Exact Mass257.06
IUPAC Name4-chloro-5-morpholin-4-yl-2-nitroaniline
SMILESNc1cc(N2CCOCC2)c(Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C10H12ClN3O3/c11-7-5-10(14(15)16)8(12)6-9(7)13-1-3-17-4-2-13/h5-6H,1-4,12H2
InChIKeyMIGKKDPFXLVZTK-UHFFFAOYSA-N
XLogP1.67
TPSA81.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.68
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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
4-(4-Chloro-2-nitrophenyl)morpholine
CID 522191
1-Chloro-2,4-dimorpholino-5-nitrobenzene
CID 2797445
HC Yellow no. 10
CID 3621694
2-((4-Amino-2-chloro-5-nitrophenyl)amino)ethanol
CID 5490271
1,2-Propanediol, 3-((4-amino-2-chloro-5-nitrophenyl)amino)-
CID 9903344
HC Red 11
CID 22320962
5-Morpholino-2-nitroaniline
CID 596725
Morpholine, 4-(2-chloro-4-nitrophenyl)-
CID 108711
(2-Chloro-4-nitrophenyl)(3-morpholin-4-ylpropyl)amine
CID 2870846
2-Chloro-5-(4-methyl-1-piperidinyl)-4-nitroaniline
CID 2921571
(5-Chloro-2-nitrophenyl)(3-morpholin-4-ylpropyl)amine
CID 4562974

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-morpholin-4-yl-2-nitroaniline?
The IUPAC name of 4-chloro-5-morpholin-4-yl-2-nitroaniline (CID 3779330) is 4-chloro-5-morpholin-4-yl-2-nitroaniline.
What is the SMILES notation for 4-chloro-5-morpholin-4-yl-2-nitroaniline?
The canonical SMILES for 4-chloro-5-morpholin-4-yl-2-nitroaniline is Nc1cc(N2CCOCC2)c(Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-chloro-5-morpholin-4-yl-2-nitroaniline?
The InChIKey is MIGKKDPFXLVZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O3/c11-7-5-10(14(15)16)8(12)6-9(7)13-1-3-17-4-2-13/h5-6H,1-4,12H2.
What are the key properties of 4-chloro-5-morpholin-4-yl-2-nitroaniline?
4-chloro-5-morpholin-4-yl-2-nitroaniline has a molecular weight of 257.68 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-morpholin-4-yl-2-nitroaniline is sourced from PubChem (CID 3779330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).