5-bromo-2-[(5R)-6-isocyano-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine

C11H9BrN2O — CID 88542829

IUPAC5-bromo-2-[(5R)-6-isocyano-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine
SMILES[C-]#[N+]C1(c2ccc(Br)cn2)C2COC[C@H]21
InChIInChI=1S/C11H9BrN2O/c1-13-11(8-5-15-6-9(8)11)10-3-2-7(12)4-14-10/h2-4,8-9H,5-6H2/t8-,9?,11?/m1/s1
InChIKeyFBGGVDBMOLPRCZ-FKTRJACZSA-N
MW265.11 g/mol
LogP2.23
Rot. Bonds1

About 5-bromo-2-[(5R)-6-isocyano-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine

5-bromo-2-[(5R)-6-isocyano-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine (PubChem CID 88542829) has the molecular formula C11H9BrN2O and a molecular weight of 265.11 g/mol. Its IUPAC name is 5-bromo-2-[(5R)-6-isocyano-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[(5R)-6-isocyano-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine
PubChem CID88542829
Molecular FormulaC11H9BrN2O
Molecular Weight265.11 g/mol
Exact Mass263.99
IUPAC Name5-bromo-2-[(5R)-6-isocyano-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine
SMILES[C-]#[N+]C1(c2ccc(Br)cn2)C2COC[C@H]21
InChIInChI=1S/C11H9BrN2O/c1-13-11(8-5-15-6-9(8)11)10-3-2-7(12)4-14-10/h2-4,8-9H,5-6H2/t8-,9?,11?/m1/s1
InChIKeyFBGGVDBMOLPRCZ-FKTRJACZSA-N
XLogP2.23
TPSA26.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.11
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(5R)-6-isocyano-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine?
The IUPAC name of 5-bromo-2-[(5R)-6-isocyano-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine (CID 88542829) is 5-bromo-2-[(5R)-6-isocyano-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine.
What is the SMILES notation for 5-bromo-2-[(5R)-6-isocyano-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine?
The canonical SMILES for 5-bromo-2-[(5R)-6-isocyano-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine is [C-]#[N+]C1(c2ccc(Br)cn2)C2COC[C@H]21.
What is the InChIKey of 5-bromo-2-[(5R)-6-isocyano-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine?
The InChIKey is FBGGVDBMOLPRCZ-FKTRJACZSA-N. The full InChI is InChI=1S/C11H9BrN2O/c1-13-11(8-5-15-6-9(8)11)10-3-2-7(12)4-14-10/h2-4,8-9H,5-6H2/t8-,9?,11?/m1/s1.
What are the key properties of 5-bromo-2-[(5R)-6-isocyano-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine?
5-bromo-2-[(5R)-6-isocyano-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine has a molecular weight of 265.11 g/mol, XLogP of 2.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(5R)-6-isocyano-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine is sourced from PubChem (CID 88542829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).