3-(5-chloro-2-methyl-4-nitrophenoxy)azetidine

C10H11ClN2O3 — CID 115556274

IUPAC3-(5-chloro-2-methyl-4-nitrophenoxy)azetidine
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1OC1CNC1
InChIInChI=1S/C10H11ClN2O3/c1-6-2-9(13(14)15)8(11)3-10(6)16-7-4-12-5-7/h2-3,7,12H,4-5H2,1H3
InChIKeyOMBYNBDPERECKS-UHFFFAOYSA-N
MW242.66 g/mol
LogP1.91
Rot. Bonds3

About 3-(5-chloro-2-methyl-4-nitrophenoxy)azetidine

3-(5-chloro-2-methyl-4-nitrophenoxy)azetidine (PubChem CID 115556274) has the molecular formula C10H11ClN2O3 and a molecular weight of 242.66 g/mol. Its IUPAC name is 3-(5-chloro-2-methyl-4-nitrophenoxy)azetidine.

Molecular Properties

Compound Name3-(5-chloro-2-methyl-4-nitrophenoxy)azetidine
PubChem CID115556274
Molecular FormulaC10H11ClN2O3
Molecular Weight242.66 g/mol
Exact Mass242.05
IUPAC Name3-(5-chloro-2-methyl-4-nitrophenoxy)azetidine
SMILESCc1cc([N+](=O)[O-])c(Cl)cc1OC1CNC1
InChIInChI=1S/C10H11ClN2O3/c1-6-2-9(13(14)15)8(11)3-10(6)16-7-4-12-5-7/h2-3,7,12H,4-5H2,1H3
InChIKeyOMBYNBDPERECKS-UHFFFAOYSA-N
XLogP1.91
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.66
LogP ≤ 51.91
H-Bond Donors ≤ 51
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 3-(5-chloro-2-methyl-4-nitrophenoxy)azetidine 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

(3S)-3-(5-chloro-2-methyl-4-nitrophenoxy)piperidine
CID 115556289
3-(2-methyl-5-nitrophenoxy)azetidine
CID 62785560
1-chloro-5-(difluoromethoxy)-4-methyl-2-nitrobenzene
CID 118850656
3-[(5-chloro-2-methyl-4-nitrophenoxy)methyl]piperidine
CID 115556271
3-(4,5-difluoro-2-nitrophenoxy)azetidine
CID 139591719
2-bromo-5-(5-chloro-2-methyl-4-nitrophenoxy)-1,3-dimethylbenzene
CID 107724224
3-(2,5-difluoro-4-nitrophenoxy)azetidine
CID 63597612
2-[(5-chloro-2-methyl-4-nitrophenoxy)methyl]pyrrolidine
CID 113334615
3-(4-fluoro-5-methoxy-2-nitrophenoxy)azetidine
CID 63599233
N-(5-chloro-2-methyl-4-nitrophenyl)cyclooctanamine
CID 115555651
2-[(4,5-dichloro-2-nitrophenoxy)methyl]-6-methylmorpholine
CID 102634870
3-(4-chloro-5-fluoro-2-nitrophenoxy)pyrrolidine
CID 66079206

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methyl-4-nitrophenoxy)azetidine?
The IUPAC name of 3-(5-chloro-2-methyl-4-nitrophenoxy)azetidine (CID 115556274) is 3-(5-chloro-2-methyl-4-nitrophenoxy)azetidine.
What is the SMILES notation for 3-(5-chloro-2-methyl-4-nitrophenoxy)azetidine?
The canonical SMILES for 3-(5-chloro-2-methyl-4-nitrophenoxy)azetidine is Cc1cc([N+](=O)[O-])c(Cl)cc1OC1CNC1.
What is the InChIKey of 3-(5-chloro-2-methyl-4-nitrophenoxy)azetidine?
The InChIKey is OMBYNBDPERECKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2O3/c1-6-2-9(13(14)15)8(11)3-10(6)16-7-4-12-5-7/h2-3,7,12H,4-5H2,1H3.
What are the key properties of 3-(5-chloro-2-methyl-4-nitrophenoxy)azetidine?
3-(5-chloro-2-methyl-4-nitrophenoxy)azetidine has a molecular weight of 242.66 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methyl-4-nitrophenoxy)azetidine is sourced from PubChem (CID 115556274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).