3-bromo-2-(2,4-dimethylphenyl)pyridine

C13H12BrN — CID 83920163

IUPAC3-bromo-2-(2,4-dimethylphenyl)pyridine
SMILESCc1ccc(-c2ncccc2Br)c(C)c1
InChIInChI=1S/C13H12BrN/c1-9-5-6-11(10(2)8-9)13-12(14)4-3-7-15-13/h3-8H,1-2H3
InChIKeySKEYBGBFMXSUKS-UHFFFAOYSA-N
MW262.15 g/mol
LogP4.13
Rot. Bonds1

About 3-bromo-2-(2,4-dimethylphenyl)pyridine

3-bromo-2-(2,4-dimethylphenyl)pyridine (PubChem CID 83920163) has the molecular formula C13H12BrN and a molecular weight of 262.15 g/mol. Its IUPAC name is 3-bromo-2-(2,4-dimethylphenyl)pyridine.

Molecular Properties

Compound Name3-bromo-2-(2,4-dimethylphenyl)pyridine
PubChem CID83920163
Molecular FormulaC13H12BrN
Molecular Weight262.15 g/mol
Exact Mass261.02
IUPAC Name3-bromo-2-(2,4-dimethylphenyl)pyridine
SMILESCc1ccc(-c2ncccc2Br)c(C)c1
InChIInChI=1S/C13H12BrN/c1-9-5-6-11(10(2)8-9)13-12(14)4-3-7-15-13/h3-8H,1-2H3
InChIKeySKEYBGBFMXSUKS-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

2-(2-bromo-4-methylphenyl)-3-methylpyridine
CID 177492529
3-bromo-2-(2,4,6-trimethylphenyl)pyridine
CID 160653296
3-bromo-2-[2-[2-(3-bromo-2-pyridinyl)phenyl]phenyl]pyridine
CID 102358252
2-(2,4-dimethylphenyl)pyridine;ethane
CID 143636710
3-(2,4-dimethylphenyl)-1H-pyrazin-2-one
CID 112558964
1-bromo-2-(2,4-dimethylphenyl)-3-fluorobenzene
CID 146407762
2-bromo-4-(2,4-dimethylphenyl)pyrimidine
CID 116904235
1-[3-(2,4-dimethylphenyl)phenyl]-2,4-dimethylbenzene
CID 90996196
2-[3-(2,4-dimethylphenyl)pyrazin-2-yl]acetic acid
CID 82477709
3-(2,4-dimethylphenyl)-4,5-dimethyl-1H-pyridazin-6-one
CID 106516910
7-methylspiro[[1]benzosilolo[3,2-b]pyridine-5,5'-benzo[b][1]benzosilole]
CID 59661403
4-(2,4-dimethylphenyl)-2-methoxypyridine
CID 90207417

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(2,4-dimethylphenyl)pyridine?
The IUPAC name of 3-bromo-2-(2,4-dimethylphenyl)pyridine (CID 83920163) is 3-bromo-2-(2,4-dimethylphenyl)pyridine.
What is the SMILES notation for 3-bromo-2-(2,4-dimethylphenyl)pyridine?
The canonical SMILES for 3-bromo-2-(2,4-dimethylphenyl)pyridine is Cc1ccc(-c2ncccc2Br)c(C)c1.
What is the InChIKey of 3-bromo-2-(2,4-dimethylphenyl)pyridine?
The InChIKey is SKEYBGBFMXSUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN/c1-9-5-6-11(10(2)8-9)13-12(14)4-3-7-15-13/h3-8H,1-2H3.
What are the key properties of 3-bromo-2-(2,4-dimethylphenyl)pyridine?
3-bromo-2-(2,4-dimethylphenyl)pyridine 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 3-bromo-2-(2,4-dimethylphenyl)pyridine is sourced from PubChem (CID 83920163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).