5-bromo-3-prop-2-enoxy-2-[(Z)-prop-1-enyl]pyridine

C11H12BrNO — CID 59437363

IUPAC5-bromo-3-prop-2-enoxy-2-[(Z)-prop-1-enyl]pyridine
SMILESC=CCOc1cc(Br)cnc1/C=C\C
InChIInChI=1S/C11H12BrNO/c1-3-5-10-11(14-6-4-2)7-9(12)8-13-10/h3-5,7-8H,2,6H2,1H3/b5-3-
InChIKeyRSDACJYKAUSSNS-HYXAFXHYSA-N
MW254.13 g/mol
LogP3.44
Rot. Bonds4

About 5-bromo-3-prop-2-enoxy-2-[(Z)-prop-1-enyl]pyridine

5-bromo-3-prop-2-enoxy-2-[(Z)-prop-1-enyl]pyridine (PubChem CID 59437363) has the molecular formula C11H12BrNO and a molecular weight of 254.13 g/mol. Its IUPAC name is 5-bromo-3-prop-2-enoxy-2-[(Z)-prop-1-enyl]pyridine.

Molecular Properties

Compound Name5-bromo-3-prop-2-enoxy-2-[(Z)-prop-1-enyl]pyridine
PubChem CID59437363
Molecular FormulaC11H12BrNO
Molecular Weight254.13 g/mol
Exact Mass253.01
IUPAC Name5-bromo-3-prop-2-enoxy-2-[(Z)-prop-1-enyl]pyridine
SMILESC=CCOc1cc(Br)cnc1/C=C\C
InChIInChI=1S/C11H12BrNO/c1-3-5-10-11(14-6-4-2)7-9(12)8-13-10/h3-5,7-8H,2,6H2,1H3/b5-3-
InChIKeyRSDACJYKAUSSNS-HYXAFXHYSA-N
XLogP3.44
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-prop-2-enoxy-2-[(Z)-prop-1-enyl]pyridine?
The IUPAC name of 5-bromo-3-prop-2-enoxy-2-[(Z)-prop-1-enyl]pyridine (CID 59437363) is 5-bromo-3-prop-2-enoxy-2-[(Z)-prop-1-enyl]pyridine.
What is the SMILES notation for 5-bromo-3-prop-2-enoxy-2-[(Z)-prop-1-enyl]pyridine?
The canonical SMILES for 5-bromo-3-prop-2-enoxy-2-[(Z)-prop-1-enyl]pyridine is C=CCOc1cc(Br)cnc1/C=C\C.
What is the InChIKey of 5-bromo-3-prop-2-enoxy-2-[(Z)-prop-1-enyl]pyridine?
The InChIKey is RSDACJYKAUSSNS-HYXAFXHYSA-N. The full InChI is InChI=1S/C11H12BrNO/c1-3-5-10-11(14-6-4-2)7-9(12)8-13-10/h3-5,7-8H,2,6H2,1H3/b5-3-.
What are the key properties of 5-bromo-3-prop-2-enoxy-2-[(Z)-prop-1-enyl]pyridine?
5-bromo-3-prop-2-enoxy-2-[(Z)-prop-1-enyl]pyridine has a molecular weight of 254.13 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-prop-2-enoxy-2-[(Z)-prop-1-enyl]pyridine is sourced from PubChem (CID 59437363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).