3-bromo-2,4,6-trimethylpyridine

C8H10BrN — CID 25136843

IUPAC3-bromo-2,4,6-trimethylpyridine
SMILESCc1cc(C)c(Br)c(C)n1
InChIInChI=1S/C8H10BrN/c1-5-4-6(2)10-7(3)8(5)9/h4H,1-3H3
InChIKeyHDIJRNSEQXUVPU-UHFFFAOYSA-N
MW200.08 g/mol
LogP2.77
Rot. Bonds

About 3-bromo-2,4,6-trimethylpyridine

3-bromo-2,4,6-trimethylpyridine (PubChem CID 25136843) has the molecular formula C8H10BrN and a molecular weight of 200.08 g/mol. Its IUPAC name is 3-bromo-2,4,6-trimethylpyridine.

Molecular Properties

Compound Name3-bromo-2,4,6-trimethylpyridine
PubChem CID25136843
Molecular FormulaC8H10BrN
Molecular Weight200.08 g/mol
Exact Mass199.00
IUPAC Name3-bromo-2,4,6-trimethylpyridine
SMILESCc1cc(C)c(Br)c(C)n1
InChIInChI=1S/C8H10BrN/c1-5-4-6(2)10-7(3)8(5)9/h4H,1-3H3
InChIKeyHDIJRNSEQXUVPU-UHFFFAOYSA-N
XLogP2.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.08
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-2,4,6-trimethylpyridine?
The IUPAC name of 3-bromo-2,4,6-trimethylpyridine (CID 25136843) is 3-bromo-2,4,6-trimethylpyridine.
What is the SMILES notation for 3-bromo-2,4,6-trimethylpyridine?
The canonical SMILES for 3-bromo-2,4,6-trimethylpyridine is Cc1cc(C)c(Br)c(C)n1.
What is the InChIKey of 3-bromo-2,4,6-trimethylpyridine?
The InChIKey is HDIJRNSEQXUVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN/c1-5-4-6(2)10-7(3)8(5)9/h4H,1-3H3.
What are the key properties of 3-bromo-2,4,6-trimethylpyridine?
3-bromo-2,4,6-trimethylpyridine has a molecular weight of 200.08 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2,4,6-trimethylpyridine is sourced from PubChem (CID 25136843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).