2-(3-azidooxetan-3-yl)-5-bromopyridine

C8H7BrN4O — CID 150881325

IUPAC2-(3-azidooxetan-3-yl)-5-bromopyridine
SMILES[N-]=[N+]=NC1(c2ccc(Br)cn2)COC1
InChIInChI=1S/C8H7BrN4O/c9-6-1-2-7(11-3-6)8(12-13-10)4-14-5-8/h1-3H,4-5H2
InChIKeyKWBPDJDPROVCIE-UHFFFAOYSA-N
MW255.07 g/mol
LogP2.38
Rot. Bonds2

About 2-(3-azidooxetan-3-yl)-5-bromopyridine

2-(3-azidooxetan-3-yl)-5-bromopyridine (PubChem CID 150881325) has the molecular formula C8H7BrN4O and a molecular weight of 255.07 g/mol. Its IUPAC name is 2-(3-azidooxetan-3-yl)-5-bromopyridine.

Molecular Properties

Compound Name2-(3-azidooxetan-3-yl)-5-bromopyridine
PubChem CID150881325
Molecular FormulaC8H7BrN4O
Molecular Weight255.07 g/mol
Exact Mass253.98
IUPAC Name2-(3-azidooxetan-3-yl)-5-bromopyridine
SMILES[N-]=[N+]=NC1(c2ccc(Br)cn2)COC1
InChIInChI=1S/C8H7BrN4O/c9-6-1-2-7(11-3-6)8(12-13-10)4-14-5-8/h1-3H,4-5H2
InChIKeyKWBPDJDPROVCIE-UHFFFAOYSA-N
XLogP2.38
TPSA70.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.07
LogP ≤ 52.38
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-(3-azidooxetan-3-yl)-5-bromopyridine?
The IUPAC name of 2-(3-azidooxetan-3-yl)-5-bromopyridine (CID 150881325) is 2-(3-azidooxetan-3-yl)-5-bromopyridine.
What is the SMILES notation for 2-(3-azidooxetan-3-yl)-5-bromopyridine?
The canonical SMILES for 2-(3-azidooxetan-3-yl)-5-bromopyridine is [N-]=[N+]=NC1(c2ccc(Br)cn2)COC1.
What is the InChIKey of 2-(3-azidooxetan-3-yl)-5-bromopyridine?
The InChIKey is KWBPDJDPROVCIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN4O/c9-6-1-2-7(11-3-6)8(12-13-10)4-14-5-8/h1-3H,4-5H2.
What are the key properties of 2-(3-azidooxetan-3-yl)-5-bromopyridine?
2-(3-azidooxetan-3-yl)-5-bromopyridine has a molecular weight of 255.07 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidooxetan-3-yl)-5-bromopyridine is sourced from PubChem (CID 150881325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).