2-(2-bromo-4-methylphenyl)-3-methylpyridine

C13H12BrN — CID 177492529

IUPAC2-(2-bromo-4-methylphenyl)-3-methylpyridine
SMILESCc1ccc(-c2ncccc2C)c(Br)c1
InChIInChI=1S/C13H12BrN/c1-9-5-6-11(12(14)8-9)13-10(2)4-3-7-15-13/h3-8H,1-2H3
InChIKeyYFYQWCUCCPVPKX-UHFFFAOYSA-N
MW262.15 g/mol
LogP4.13
Rot. Bonds1

About 2-(2-bromo-4-methylphenyl)-3-methylpyridine

2-(2-bromo-4-methylphenyl)-3-methylpyridine (PubChem CID 177492529) has the molecular formula C13H12BrN and a molecular weight of 262.15 g/mol. Its IUPAC name is 2-(2-bromo-4-methylphenyl)-3-methylpyridine.

Molecular Properties

Compound Name2-(2-bromo-4-methylphenyl)-3-methylpyridine
PubChem CID177492529
Molecular FormulaC13H12BrN
Molecular Weight262.15 g/mol
Exact Mass261.02
IUPAC Name2-(2-bromo-4-methylphenyl)-3-methylpyridine
SMILESCc1ccc(-c2ncccc2C)c(Br)c1
InChIInChI=1S/C13H12BrN/c1-9-5-6-11(12(14)8-9)13-10(2)4-3-7-15-13/h3-8H,1-2H3
InChIKeyYFYQWCUCCPVPKX-UHFFFAOYSA-N
XLogP4.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.15
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-2-(2,4-dimethylphenyl)pyridine
CID 83920163
2-(3,5-dibromophenyl)-3-methylpyridine
CID 155769988
ethane;3-methyl-2-(4-methyl-2-pyridinyl)pyridine
CID 54336333
3-bromo-2-(2,4,6-trimethylphenyl)pyridine
CID 160653296
2-(3-methyl-2-pyridinyl)benzenethiol
CID 137155222
5-methyl-2-(3-methyl-2-pyridinyl)-N-(4-nitrophenyl)aniline
CID 72735878
2-(2-chloro-4-methoxyphenyl)-3-methylpyridine
CID 42624977
N-(2-bromo-4-methylphenyl)-N'-(3-methyl-2-pyridinyl)oxamide
CID 108532491
2-(2-fluoro-4-prop-1-en-2-ylphenyl)-3-methylpyridine
CID 143030309
7-methylspiro[[1]benzosilolo[3,2-b]pyridine-5,5'-benzo[b][1]benzosilole]
CID 59661403
2-bromo-3-methylpyridine;ethane
CID 143610978
2,3-dimethylpyridine;1,4-xylene
CID 174745079

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-methylphenyl)-3-methylpyridine?
The IUPAC name of 2-(2-bromo-4-methylphenyl)-3-methylpyridine (CID 177492529) is 2-(2-bromo-4-methylphenyl)-3-methylpyridine.
What is the SMILES notation for 2-(2-bromo-4-methylphenyl)-3-methylpyridine?
The canonical SMILES for 2-(2-bromo-4-methylphenyl)-3-methylpyridine is Cc1ccc(-c2ncccc2C)c(Br)c1.
What is the InChIKey of 2-(2-bromo-4-methylphenyl)-3-methylpyridine?
The InChIKey is YFYQWCUCCPVPKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN/c1-9-5-6-11(12(14)8-9)13-10(2)4-3-7-15-13/h3-8H,1-2H3.
What are the key properties of 2-(2-bromo-4-methylphenyl)-3-methylpyridine?
2-(2-bromo-4-methylphenyl)-3-methylpyridine has a molecular weight of 262.15 g/mol, XLogP of 4.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-methylphenyl)-3-methylpyridine is sourced from PubChem (CID 177492529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).