4-bromo-2,3,5-trimethylpyridine

C8H10BrN — CID 58742154

IUPAC4-bromo-2,3,5-trimethylpyridine
SMILESCc1cnc(C)c(C)c1Br
InChIInChI=1S/C8H10BrN/c1-5-4-10-7(3)6(2)8(5)9/h4H,1-3H3
InChIKeyUTCFYSGOQHYTAT-UHFFFAOYSA-N
MW200.08 g/mol
LogP2.77
Rot. Bonds

About 4-bromo-2,3,5-trimethylpyridine

4-bromo-2,3,5-trimethylpyridine (PubChem CID 58742154) has the molecular formula C8H10BrN and a molecular weight of 200.08 g/mol. Its IUPAC name is 4-bromo-2,3,5-trimethylpyridine.

Molecular Properties

Compound Name4-bromo-2,3,5-trimethylpyridine
PubChem CID58742154
Molecular FormulaC8H10BrN
Molecular Weight200.08 g/mol
Exact Mass199.00
IUPAC Name4-bromo-2,3,5-trimethylpyridine
SMILESCc1cnc(C)c(C)c1Br
InChIInChI=1S/C8H10BrN/c1-5-4-10-7(3)6(2)8(5)9/h4H,1-3H3
InChIKeyUTCFYSGOQHYTAT-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 4-bromo-2,3,5-trimethylpyridine?
The IUPAC name of 4-bromo-2,3,5-trimethylpyridine (CID 58742154) is 4-bromo-2,3,5-trimethylpyridine.
What is the SMILES notation for 4-bromo-2,3,5-trimethylpyridine?
The canonical SMILES for 4-bromo-2,3,5-trimethylpyridine is Cc1cnc(C)c(C)c1Br.
What is the InChIKey of 4-bromo-2,3,5-trimethylpyridine?
The InChIKey is UTCFYSGOQHYTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrN/c1-5-4-10-7(3)6(2)8(5)9/h4H,1-3H3.
What are the key properties of 4-bromo-2,3,5-trimethylpyridine?
4-bromo-2,3,5-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 4-bromo-2,3,5-trimethylpyridine is sourced from PubChem (CID 58742154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).