3-azido-1-[(2-chlorophenyl)methyl]azetidine

C10H11ClN4 — CID 121200161

IUPAC3-azido-1-[(2-chlorophenyl)methyl]azetidine
SMILES[N-]=[N+]=NC1CN(Cc2ccccc2Cl)C1
InChIInChI=1S/C10H11ClN4/c11-10-4-2-1-3-8(10)5-15-6-9(7-15)13-14-12/h1-4,9H,5-7H2
InChIKeyISKVTXGRDGYZBA-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.83
Rot. Bonds3

About 3-azido-1-[(2-chlorophenyl)methyl]azetidine

3-azido-1-[(2-chlorophenyl)methyl]azetidine (PubChem CID 121200161) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 3-azido-1-[(2-chlorophenyl)methyl]azetidine.

Molecular Properties

Compound Name3-azido-1-[(2-chlorophenyl)methyl]azetidine
PubChem CID121200161
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name3-azido-1-[(2-chlorophenyl)methyl]azetidine
SMILES[N-]=[N+]=NC1CN(Cc2ccccc2Cl)C1
InChIInChI=1S/C10H11ClN4/c11-10-4-2-1-3-8(10)5-15-6-9(7-15)13-14-12/h1-4,9H,5-7H2
InChIKeyISKVTXGRDGYZBA-UHFFFAOYSA-N
XLogP2.83
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-azido-1-[(3,5-dichlorophenyl)methyl]azetidine
CID 121200278
3-[(2-chlorophenyl)methyl]-3,8-diazabicyclo[3.2.1]octane
CID 175322165
[3-[(2-chlorophenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol
CID 115009445
(3R)-3-azido-1-benzylpiperidine
CID 130647613
1-[(2-chlorophenyl)methyl]azepane
CID 17017924
3-chloro-1-[(2-chlorophenyl)methyl]pyrrolidine
CID 63388048
1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917385
(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933654
1-[(2-chlorophenyl)methyl]-4-sulfanylpiperazine
CID 135200099
(3S)-1-[(2-chlorophenyl)methyl]piperidin-3-ol
CID 24904413
(3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine
CID 42550070
1-[(2-chlorophenyl)methyl]pyrrolidine-3-carbaldehyde
CID 102548694

Frequently Asked Questions

What is the IUPAC name of 3-azido-1-[(2-chlorophenyl)methyl]azetidine?
The IUPAC name of 3-azido-1-[(2-chlorophenyl)methyl]azetidine (CID 121200161) is 3-azido-1-[(2-chlorophenyl)methyl]azetidine.
What is the SMILES notation for 3-azido-1-[(2-chlorophenyl)methyl]azetidine?
The canonical SMILES for 3-azido-1-[(2-chlorophenyl)methyl]azetidine is [N-]=[N+]=NC1CN(Cc2ccccc2Cl)C1.
What is the InChIKey of 3-azido-1-[(2-chlorophenyl)methyl]azetidine?
The InChIKey is ISKVTXGRDGYZBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c11-10-4-2-1-3-8(10)5-15-6-9(7-15)13-14-12/h1-4,9H,5-7H2.
What are the key properties of 3-azido-1-[(2-chlorophenyl)methyl]azetidine?
3-azido-1-[(2-chlorophenyl)methyl]azetidine has a molecular weight of 222.68 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-1-[(2-chlorophenyl)methyl]azetidine is sourced from PubChem (CID 121200161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).