2-azido-4-bromo-3-(oxan-4-ylidenemethyl)pyridine

C11H11BrN4O — CID 177182780

IUPAC2-azido-4-bromo-3-(oxan-4-ylidenemethyl)pyridine
SMILES[N-]=[N+]=Nc1nccc(Br)c1C=C1CCOCC1
InChIInChI=1S/C11H11BrN4O/c12-10-1-4-14-11(15-16-13)9(10)7-8-2-5-17-6-3-8/h1,4,7H,2-3,5-6H2
InChIKeyGXHHQHOJQWVLAN-UHFFFAOYSA-N
MW295.14 g/mol
LogP3.98
Rot. Bonds2

About 2-azido-4-bromo-3-(oxan-4-ylidenemethyl)pyridine

2-azido-4-bromo-3-(oxan-4-ylidenemethyl)pyridine (PubChem CID 177182780) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 2-azido-4-bromo-3-(oxan-4-ylidenemethyl)pyridine.

Molecular Properties

Compound Name2-azido-4-bromo-3-(oxan-4-ylidenemethyl)pyridine
PubChem CID177182780
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name2-azido-4-bromo-3-(oxan-4-ylidenemethyl)pyridine
SMILES[N-]=[N+]=Nc1nccc(Br)c1C=C1CCOCC1
InChIInChI=1S/C11H11BrN4O/c12-10-1-4-14-11(15-16-13)9(10)7-8-2-5-17-6-3-8/h1,4,7H,2-3,5-6H2
InChIKeyGXHHQHOJQWVLAN-UHFFFAOYSA-N
XLogP3.98
TPSA70.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 2-azido-4-bromo-3-(oxan-4-ylidenemethyl)pyridine?
The IUPAC name of 2-azido-4-bromo-3-(oxan-4-ylidenemethyl)pyridine (CID 177182780) is 2-azido-4-bromo-3-(oxan-4-ylidenemethyl)pyridine.
What is the SMILES notation for 2-azido-4-bromo-3-(oxan-4-ylidenemethyl)pyridine?
The canonical SMILES for 2-azido-4-bromo-3-(oxan-4-ylidenemethyl)pyridine is [N-]=[N+]=Nc1nccc(Br)c1C=C1CCOCC1.
What is the InChIKey of 2-azido-4-bromo-3-(oxan-4-ylidenemethyl)pyridine?
The InChIKey is GXHHQHOJQWVLAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c12-10-1-4-14-11(15-16-13)9(10)7-8-2-5-17-6-3-8/h1,4,7H,2-3,5-6H2.
What are the key properties of 2-azido-4-bromo-3-(oxan-4-ylidenemethyl)pyridine?
2-azido-4-bromo-3-(oxan-4-ylidenemethyl)pyridine has a molecular weight of 295.14 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-4-bromo-3-(oxan-4-ylidenemethyl)pyridine is sourced from PubChem (CID 177182780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).