1-(5-bromo-3-chloro-2-pyridinyl)-N-methoxyazetidin-3-imine

C9H9BrClN3O — CID 126561655

IUPAC1-(5-bromo-3-chloro-2-pyridinyl)-N-methoxyazetidin-3-imine
SMILESCON=C1CN(c2ncc(Br)cc2Cl)C1
InChIInChI=1S/C9H9BrClN3O/c1-15-13-7-4-14(5-7)9-8(11)2-6(10)3-12-9/h2-3H,4-5H2,1H3
InChIKeyDOGOLHRXXULXNK-UHFFFAOYSA-N
MW290.55 g/mol
LogP2.32
Rot. Bonds2

About 1-(5-bromo-3-chloro-2-pyridinyl)-N-methoxyazetidin-3-imine

1-(5-bromo-3-chloro-2-pyridinyl)-N-methoxyazetidin-3-imine (PubChem CID 126561655) has the molecular formula C9H9BrClN3O and a molecular weight of 290.55 g/mol. Its IUPAC name is 1-(5-bromo-3-chloro-2-pyridinyl)-N-methoxyazetidin-3-imine.

Molecular Properties

Compound Name1-(5-bromo-3-chloro-2-pyridinyl)-N-methoxyazetidin-3-imine
PubChem CID126561655
Molecular FormulaC9H9BrClN3O
Molecular Weight290.55 g/mol
Exact Mass288.96
IUPAC Name1-(5-bromo-3-chloro-2-pyridinyl)-N-methoxyazetidin-3-imine
SMILESCON=C1CN(c2ncc(Br)cc2Cl)C1
InChIInChI=1S/C9H9BrClN3O/c1-15-13-7-4-14(5-7)9-8(11)2-6(10)3-12-9/h2-3H,4-5H2,1H3
InChIKeyDOGOLHRXXULXNK-UHFFFAOYSA-N
XLogP2.32
TPSA37.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.55
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-3-chloro-2-pyridinyl)-N-methoxyazetidin-3-imine?
The IUPAC name of 1-(5-bromo-3-chloro-2-pyridinyl)-N-methoxyazetidin-3-imine (CID 126561655) is 1-(5-bromo-3-chloro-2-pyridinyl)-N-methoxyazetidin-3-imine.
What is the SMILES notation for 1-(5-bromo-3-chloro-2-pyridinyl)-N-methoxyazetidin-3-imine?
The canonical SMILES for 1-(5-bromo-3-chloro-2-pyridinyl)-N-methoxyazetidin-3-imine is CON=C1CN(c2ncc(Br)cc2Cl)C1.
What is the InChIKey of 1-(5-bromo-3-chloro-2-pyridinyl)-N-methoxyazetidin-3-imine?
The InChIKey is DOGOLHRXXULXNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClN3O/c1-15-13-7-4-14(5-7)9-8(11)2-6(10)3-12-9/h2-3H,4-5H2,1H3.
What are the key properties of 1-(5-bromo-3-chloro-2-pyridinyl)-N-methoxyazetidin-3-imine?
1-(5-bromo-3-chloro-2-pyridinyl)-N-methoxyazetidin-3-imine has a molecular weight of 290.55 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-3-chloro-2-pyridinyl)-N-methoxyazetidin-3-imine is sourced from PubChem (CID 126561655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).