2-bromo-6-[(Z)-but-2-en-2-yl]pyridine

C9H10BrN — CID 59525967

IUPAC2-bromo-6-[(Z)-but-2-en-2-yl]pyridine
SMILESC/C=C(/C)c1cccc(Br)n1
InChIInChI=1S/C9H10BrN/c1-3-7(2)8-5-4-6-9(10)11-8/h3-6H,1-2H3/b7-3-
InChIKeyKOSYLCSHKWOGBB-CLTKARDFSA-N
MW212.09 g/mol
LogP3.27
Rot. Bonds1

About 2-bromo-6-[(Z)-but-2-en-2-yl]pyridine

2-bromo-6-[(Z)-but-2-en-2-yl]pyridine (PubChem CID 59525967) has the molecular formula C9H10BrN and a molecular weight of 212.09 g/mol. Its IUPAC name is 2-bromo-6-[(Z)-but-2-en-2-yl]pyridine.

Molecular Properties

Compound Name2-bromo-6-[(Z)-but-2-en-2-yl]pyridine
PubChem CID59525967
Molecular FormulaC9H10BrN
Molecular Weight212.09 g/mol
Exact Mass211.00
IUPAC Name2-bromo-6-[(Z)-but-2-en-2-yl]pyridine
SMILESC/C=C(/C)c1cccc(Br)n1
InChIInChI=1S/C9H10BrN/c1-3-7(2)8-5-4-6-9(10)11-8/h3-6H,1-2H3/b7-3-
InChIKeyKOSYLCSHKWOGBB-CLTKARDFSA-N
XLogP3.27
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.09
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(Z)-but-2-en-2-yl]pyridine?
The IUPAC name of 2-bromo-6-[(Z)-but-2-en-2-yl]pyridine (CID 59525967) is 2-bromo-6-[(Z)-but-2-en-2-yl]pyridine.
What is the SMILES notation for 2-bromo-6-[(Z)-but-2-en-2-yl]pyridine?
The canonical SMILES for 2-bromo-6-[(Z)-but-2-en-2-yl]pyridine is C/C=C(/C)c1cccc(Br)n1.
What is the InChIKey of 2-bromo-6-[(Z)-but-2-en-2-yl]pyridine?
The InChIKey is KOSYLCSHKWOGBB-CLTKARDFSA-N. The full InChI is InChI=1S/C9H10BrN/c1-3-7(2)8-5-4-6-9(10)11-8/h3-6H,1-2H3/b7-3-.
What are the key properties of 2-bromo-6-[(Z)-but-2-en-2-yl]pyridine?
2-bromo-6-[(Z)-but-2-en-2-yl]pyridine has a molecular weight of 212.09 g/mol, XLogP of 3.27, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(Z)-but-2-en-2-yl]pyridine is sourced from PubChem (CID 59525967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).