2-bromo-4-methylpyridine;2,4-dimethylpyridine

C13H15BrN2 — CID 158791384

IUPAC2-bromo-4-methylpyridine;2,4-dimethylpyridine
SMILESCc1ccnc(Br)c1.Cc1ccnc(C)c1
InChIInChI=1S/C7H9N.C6H6BrN/c1-6-3-4-8-7(2)5-6;1-5-2-3-8-6(7)4-5/h3-5H,1-2H3;2-4H,1H3
InChIKeyISHXFMZIJNHJAJ-UHFFFAOYSA-N
MW279.18 g/mol
LogP3.85
Rot. Bonds

About 2-bromo-4-methylpyridine;2,4-dimethylpyridine

2-bromo-4-methylpyridine;2,4-dimethylpyridine (PubChem CID 158791384) has the molecular formula C13H15BrN2 and a molecular weight of 279.18 g/mol. Its IUPAC name is 2-bromo-4-methylpyridine;2,4-dimethylpyridine.

Molecular Properties

Compound Name2-bromo-4-methylpyridine;2,4-dimethylpyridine
PubChem CID158791384
Molecular FormulaC13H15BrN2
Molecular Weight279.18 g/mol
Exact Mass278.04
IUPAC Name2-bromo-4-methylpyridine;2,4-dimethylpyridine
SMILESCc1ccnc(Br)c1.Cc1ccnc(C)c1
InChIInChI=1S/C7H9N.C6H6BrN/c1-6-3-4-8-7(2)5-6;1-5-2-3-8-6(7)4-5/h3-5H,1-2H3;2-4H,1H3
InChIKeyISHXFMZIJNHJAJ-UHFFFAOYSA-N
XLogP3.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.18
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

copper(1+);bis(2,4-dimethylpyridine);perchlorate
CID 71364733
2,4-dimethylpyridine;ethane;2-methylpyridine
CID 143179513
1,5-dimethylpyrazole;2,4-dimethylpyridine;methane
CID 167606075
2-bromo-4-(2,4,6-trimethylphenyl)pyridine
CID 168984492
dichloroplatinum;2,4-dimethylpyridine;hydroxymethylidene(dimethyl)azanium
CID 50909668
2,4-dibromopyridine
CID 817104
2,4-dimethylpyridine;3-ethyl-5-methylpyridine
CID 144600584
copper;bis(4-methyl-2-(4-methyl-2-pyridinyl)pyridine)
CID 23557697
tris(4-methyl-2-(4-methyl-2-pyridinyl)pyridine);ruthenium(2+)
CID 154828609
2,4-dibromopyridine;hydrochloride
CID 87218885
2-bromo-4-(2,5-dimethylpyrrol-1-yl)pyridine
CID 53416638
CID 87795652
CID 87795652

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-methylpyridine;2,4-dimethylpyridine?
The IUPAC name of 2-bromo-4-methylpyridine;2,4-dimethylpyridine (CID 158791384) is 2-bromo-4-methylpyridine;2,4-dimethylpyridine.
What is the SMILES notation for 2-bromo-4-methylpyridine;2,4-dimethylpyridine?
The canonical SMILES for 2-bromo-4-methylpyridine;2,4-dimethylpyridine is Cc1ccnc(Br)c1.Cc1ccnc(C)c1.
What is the InChIKey of 2-bromo-4-methylpyridine;2,4-dimethylpyridine?
The InChIKey is ISHXFMZIJNHJAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N.C6H6BrN/c1-6-3-4-8-7(2)5-6;1-5-2-3-8-6(7)4-5/h3-5H,1-2H3;2-4H,1H3.
What are the key properties of 2-bromo-4-methylpyridine;2,4-dimethylpyridine?
2-bromo-4-methylpyridine;2,4-dimethylpyridine has a molecular weight of 279.18 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-methylpyridine;2,4-dimethylpyridine is sourced from PubChem (CID 158791384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).