(2Z)-5-bromo-2-[(E)-hex-2-enylidene]-1H-pyridine

C11H14BrN — CID 118889031

IUPAC(2Z)-5-bromo-2-[(E)-hex-2-enylidene]-1H-pyridine
SMILESCCC/C=C/C=C1/C=CC(Br)=CN1
InChIInChI=1S/C11H14BrN/c1-2-3-4-5-6-11-8-7-10(12)9-13-11/h4-9,13H,2-3H2,1H3/b5-4+,11-6-
InChIKeyVKAQAMFHLOIGLE-QTJNYWJXSA-N
MW240.14 g/mol
LogP3.62
Rot. Bonds3

About (2Z)-5-bromo-2-[(E)-hex-2-enylidene]-1H-pyridine

(2Z)-5-bromo-2-[(E)-hex-2-enylidene]-1H-pyridine (PubChem CID 118889031) has the molecular formula C11H14BrN and a molecular weight of 240.14 g/mol. Its IUPAC name is (2Z)-5-bromo-2-[(E)-hex-2-enylidene]-1H-pyridine.

Molecular Properties

Compound Name(2Z)-5-bromo-2-[(E)-hex-2-enylidene]-1H-pyridine
PubChem CID118889031
Molecular FormulaC11H14BrN
Molecular Weight240.14 g/mol
Exact Mass239.03
IUPAC Name(2Z)-5-bromo-2-[(E)-hex-2-enylidene]-1H-pyridine
SMILESCCC/C=C/C=C1/C=CC(Br)=CN1
InChIInChI=1S/C11H14BrN/c1-2-3-4-5-6-11-8-7-10(12)9-13-11/h4-9,13H,2-3H2,1H3/b5-4+,11-6-
InChIKeyVKAQAMFHLOIGLE-QTJNYWJXSA-N
XLogP3.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2Z)-5-bromo-2-[(E)-hex-2-enylidene]-1H-pyridine?
The IUPAC name of (2Z)-5-bromo-2-[(E)-hex-2-enylidene]-1H-pyridine (CID 118889031) is (2Z)-5-bromo-2-[(E)-hex-2-enylidene]-1H-pyridine.
What is the SMILES notation for (2Z)-5-bromo-2-[(E)-hex-2-enylidene]-1H-pyridine?
The canonical SMILES for (2Z)-5-bromo-2-[(E)-hex-2-enylidene]-1H-pyridine is CCC/C=C/C=C1/C=CC(Br)=CN1.
What is the InChIKey of (2Z)-5-bromo-2-[(E)-hex-2-enylidene]-1H-pyridine?
The InChIKey is VKAQAMFHLOIGLE-QTJNYWJXSA-N. The full InChI is InChI=1S/C11H14BrN/c1-2-3-4-5-6-11-8-7-10(12)9-13-11/h4-9,13H,2-3H2,1H3/b5-4+,11-6-.
What are the key properties of (2Z)-5-bromo-2-[(E)-hex-2-enylidene]-1H-pyridine?
(2Z)-5-bromo-2-[(E)-hex-2-enylidene]-1H-pyridine has a molecular weight of 240.14 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-bromo-2-[(E)-hex-2-enylidene]-1H-pyridine is sourced from PubChem (CID 118889031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).