3-azido-1-[(3,5-dichlorophenyl)methyl]azetidine

C10H10Cl2N4 — CID 121200278

IUPAC3-azido-1-[(3,5-dichlorophenyl)methyl]azetidine
SMILES[N-]=[N+]=NC1CN(Cc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C10H10Cl2N4/c11-8-1-7(2-9(12)3-8)4-16-5-10(6-16)14-15-13/h1-3,10H,4-6H2
InChIKeyLNDQASDCQIZFBL-UHFFFAOYSA-N
MW257.12 g/mol
LogP3.49
Rot. Bonds3

About 3-azido-1-[(3,5-dichlorophenyl)methyl]azetidine

3-azido-1-[(3,5-dichlorophenyl)methyl]azetidine (PubChem CID 121200278) has the molecular formula C10H10Cl2N4 and a molecular weight of 257.12 g/mol. Its IUPAC name is 3-azido-1-[(3,5-dichlorophenyl)methyl]azetidine.

Molecular Properties

Compound Name3-azido-1-[(3,5-dichlorophenyl)methyl]azetidine
PubChem CID121200278
Molecular FormulaC10H10Cl2N4
Molecular Weight257.12 g/mol
Exact Mass256.03
IUPAC Name3-azido-1-[(3,5-dichlorophenyl)methyl]azetidine
SMILES[N-]=[N+]=NC1CN(Cc2cc(Cl)cc(Cl)c2)C1
InChIInChI=1S/C10H10Cl2N4/c11-8-1-7(2-9(12)3-8)4-16-5-10(6-16)14-15-13/h1-3,10H,4-6H2
InChIKeyLNDQASDCQIZFBL-UHFFFAOYSA-N
XLogP3.49
TPSA52.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.12
LogP ≤ 53.49
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-[(3,4-difluorophenyl)methyl]azetidine
CID 121200093
3-azido-1-[(3-methylphenyl)methyl]azetidine
CID 121200162
3-azido-1-[(2-chlorophenyl)methyl]azetidine
CID 121200161
1-(4-azidocyclohexyl)-3,5-dichlorobenzene
CID 20610099
(3R)-3-azido-1-benzylpiperidine
CID 130647613
1-[(3,5-dichlorophenyl)methyl]azetidine-3-carboxylic acid
CID 65071689
1-[(3,5-dichlorophenyl)methyl]pyrrolidin-3-amine
CID 62068422
4-azido-1-benzylpyrrolidin-3-ol
CID 14612532
1-[(3,5-dichlorophenyl)methyl]piperidin-4-one
CID 11959623
6-azido-2-(3,5-dichlorophenyl)-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 141073384
(6S,8S)-6-azido-8-[(4-bromophenyl)methyl]-2-(3,5-dichlorophenyl)-6,7-dihydro-5H-pyrrolizine-1,3-dione
CID 90713303
(6S,7aS)-6-azido-2-(3,5-dichlorophenyl)-7a-[(4-isocyanophenyl)methyl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
CID 59715452

Frequently Asked Questions

What is the IUPAC name of 3-azido-1-[(3,5-dichlorophenyl)methyl]azetidine?
The IUPAC name of 3-azido-1-[(3,5-dichlorophenyl)methyl]azetidine (CID 121200278) is 3-azido-1-[(3,5-dichlorophenyl)methyl]azetidine.
What is the SMILES notation for 3-azido-1-[(3,5-dichlorophenyl)methyl]azetidine?
The canonical SMILES for 3-azido-1-[(3,5-dichlorophenyl)methyl]azetidine is [N-]=[N+]=NC1CN(Cc2cc(Cl)cc(Cl)c2)C1.
What is the InChIKey of 3-azido-1-[(3,5-dichlorophenyl)methyl]azetidine?
The InChIKey is LNDQASDCQIZFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N4/c11-8-1-7(2-9(12)3-8)4-16-5-10(6-16)14-15-13/h1-3,10H,4-6H2.
What are the key properties of 3-azido-1-[(3,5-dichlorophenyl)methyl]azetidine?
3-azido-1-[(3,5-dichlorophenyl)methyl]azetidine has a molecular weight of 257.12 g/mol, XLogP of 3.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-azido-1-[(3,5-dichlorophenyl)methyl]azetidine is sourced from PubChem (CID 121200278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).