2-benzyl-3-bromo-6-methylpyridine

C13H12BrN — CID 142178472

IUPAC2-benzyl-3-bromo-6-methylpyridine
SMILESCc1ccc(Br)c(Cc2ccccc2)n1
InChIInChI=1S/C13H12BrN/c1-10-7-8-12(14)13(15-10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyNKYLOPJROWRNCQ-UHFFFAOYSA-N
MW262.15 g/mol
LogP3.74
Rot. Bonds2

About 2-benzyl-3-bromo-6-methylpyridine

2-benzyl-3-bromo-6-methylpyridine (PubChem CID 142178472) has the molecular formula C13H12BrN and a molecular weight of 262.15 g/mol. Its IUPAC name is 2-benzyl-3-bromo-6-methylpyridine.

Molecular Properties

Compound Name2-benzyl-3-bromo-6-methylpyridine
PubChem CID142178472
Molecular FormulaC13H12BrN
Molecular Weight262.15 g/mol
Exact Mass261.02
IUPAC Name2-benzyl-3-bromo-6-methylpyridine
SMILESCc1ccc(Br)c(Cc2ccccc2)n1
InChIInChI=1S/C13H12BrN/c1-10-7-8-12(14)13(15-10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKeyNKYLOPJROWRNCQ-UHFFFAOYSA-N
XLogP3.74
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-benzyl-3-bromo-6-pyrrolidin-1-ylpyridine
CID 163757439
6-methyl-2-(2-phenylethyl)pyridin-3-amine
CID 161474326
2-(3-bromo-6-methyl-2-pyridinyl)acetonitrile
CID 119085762
2-benzyl-6,8-dibromo-5-methylimidazo[1,2-a]pyridin-3-amine
CID 141154155
2-benzyl-4-methylpyrimidine;ethane
CID 142020673
3-benzyl-6-methylpyridazine
CID 89117444
2-benzyl-6-bromo-5-methylimidazo[1,2-a]pyridine
CID 115403650
2-benzyl-6-bromo-8-methylimidazo[1,2-a]pyridin-3-amine
CID 83170655
ethyl 2-(3-bromo-6-methyl-2-pyridinyl)acetate
CID 171029890
3-benzyl-6-chloro-4-methylpyridazine
CID 71445564
4-benzyl-5-bromo-6-chloro-2-methyl-7H-pyrrolo[2,3-d]pyrimidine
CID 84610962
2,10-dimethylazecine
CID 126659012

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-bromo-6-methylpyridine?
The IUPAC name of 2-benzyl-3-bromo-6-methylpyridine (CID 142178472) is 2-benzyl-3-bromo-6-methylpyridine.
What is the SMILES notation for 2-benzyl-3-bromo-6-methylpyridine?
The canonical SMILES for 2-benzyl-3-bromo-6-methylpyridine is Cc1ccc(Br)c(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-3-bromo-6-methylpyridine?
The InChIKey is NKYLOPJROWRNCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN/c1-10-7-8-12(14)13(15-10)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3.
What are the key properties of 2-benzyl-3-bromo-6-methylpyridine?
2-benzyl-3-bromo-6-methylpyridine has a molecular weight of 262.15 g/mol, XLogP of 3.74, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-bromo-6-methylpyridine is sourced from PubChem (CID 142178472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).