5-bromo-2-ethenyl-3,6-dimethylpyridine

C9H10BrN — CID 155482008

IUPAC5-bromo-2-ethenyl-3,6-dimethylpyridine
SMILESC=Cc1nc(C)c(Br)cc1C
InChIInChI=1S/C9H10BrN/c1-4-9-6(2)5-8(10)7(3)11-9/h4-5H,1H2,2-3H3
InChIKeyBRLNLUQQMFRCTI-UHFFFAOYSA-N
MW212.09 g/mol
LogP3.10
Rot. Bonds1

About 5-bromo-2-ethenyl-3,6-dimethylpyridine

5-bromo-2-ethenyl-3,6-dimethylpyridine (PubChem CID 155482008) has the molecular formula C9H10BrN and a molecular weight of 212.09 g/mol. Its IUPAC name is 5-bromo-2-ethenyl-3,6-dimethylpyridine.

Molecular Properties

Compound Name5-bromo-2-ethenyl-3,6-dimethylpyridine
PubChem CID155482008
Molecular FormulaC9H10BrN
Molecular Weight212.09 g/mol
Exact Mass211.00
IUPAC Name5-bromo-2-ethenyl-3,6-dimethylpyridine
SMILESC=Cc1nc(C)c(Br)cc1C
InChIInChI=1S/C9H10BrN/c1-4-9-6(2)5-8(10)7(3)11-9/h4-5H,1H2,2-3H3
InChIKeyBRLNLUQQMFRCTI-UHFFFAOYSA-N
XLogP3.10
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 ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-ethenyl-3,6-dimethylpyridine?
The IUPAC name of 5-bromo-2-ethenyl-3,6-dimethylpyridine (CID 155482008) is 5-bromo-2-ethenyl-3,6-dimethylpyridine.
What is the SMILES notation for 5-bromo-2-ethenyl-3,6-dimethylpyridine?
The canonical SMILES for 5-bromo-2-ethenyl-3,6-dimethylpyridine is C=Cc1nc(C)c(Br)cc1C.
What is the InChIKey of 5-bromo-2-ethenyl-3,6-dimethylpyridine?
The InChIKey is BRLNLUQQMFRCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN/c1-4-9-6(2)5-8(10)7(3)11-9/h4-5H,1H2,2-3H3.
What are the key properties of 5-bromo-2-ethenyl-3,6-dimethylpyridine?
5-bromo-2-ethenyl-3,6-dimethylpyridine has a molecular weight of 212.09 g/mol, XLogP of 3.10, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-ethenyl-3,6-dimethylpyridine is sourced from PubChem (CID 155482008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).