bromozinc(1+);2,6-dimethyl-3H-pyridin-3-ide

C7H8BrNZn — CID 59470147

IUPACbromozinc(1+);2,6-dimethyl-3H-pyridin-3-ide
SMILESCc1[c-]ccc(C)n1.[Zn+]Br
InChIInChI=1S/C7H8N.BrH.Zn/c1-6-4-3-5-7(2)8-6;;/h3-4H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyBXKURFFEASNVBH-UHFFFAOYSA-M
MW251.44 g/mol
LogP2.34
Rot. Bonds

About bromozinc(1+);2,6-dimethyl-3H-pyridin-3-ide

bromozinc(1+);2,6-dimethyl-3H-pyridin-3-ide (PubChem CID 59470147) has the molecular formula C7H8BrNZn and a molecular weight of 251.44 g/mol. Its IUPAC name is bromozinc(1+);2,6-dimethyl-3H-pyridin-3-ide.

Molecular Properties

Compound Namebromozinc(1+);2,6-dimethyl-3H-pyridin-3-ide
PubChem CID59470147
Molecular FormulaC7H8BrNZn
Molecular Weight251.44 g/mol
Exact Mass248.91
IUPAC Namebromozinc(1+);2,6-dimethyl-3H-pyridin-3-ide
SMILESCc1[c-]ccc(C)n1.[Zn+]Br
InChIInChI=1S/C7H8N.BrH.Zn/c1-6-4-3-5-7(2)8-6;;/h3-4H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyBXKURFFEASNVBH-UHFFFAOYSA-M
XLogP2.34
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.44
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Lutidyllithium
CID 129669688
4-Lutidyllithium
CID 129669650
Magnesium, bromo(2,6-dimethyl-3-pyridinyl)-
CID 12384239
zinc;2,6-dimethyl-3H-pyridin-3-ide;chloride
CID 21285530
potassium 2,6-dimethyl-3H-pyridin-3-ide
CID 59128603
2,6-dimethyl-3H-pyridin-3-ide;tungsten
CID 59830635
3,6-dimethyl-2H-pyridin-2-ide;yttrium
CID 60003844
6-ethyl-2H-pyridin-2-ide;yttrium
CID 60087236
Magnesium bromide 2,6-dimethylpyridin-3-ide (1/1/1)
CID 85439108
zinc;6-ethyl-2H-pyridin-2-ide;chloride
CID 87403247
2,6-dimethyl-3H-pyridin-3-ide;zinc;hydrochloride
CID 88122687
2,6-Dimethyl-3,5-dihydropyridine-3,5-diide;bis(rubidium(1+))
CID 88589676

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);2,6-dimethyl-3H-pyridin-3-ide?
The IUPAC name of bromozinc(1+);2,6-dimethyl-3H-pyridin-3-ide (CID 59470147) is bromozinc(1+);2,6-dimethyl-3H-pyridin-3-ide.
What is the SMILES notation for bromozinc(1+);2,6-dimethyl-3H-pyridin-3-ide?
The canonical SMILES for bromozinc(1+);2,6-dimethyl-3H-pyridin-3-ide is Cc1[c-]ccc(C)n1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);2,6-dimethyl-3H-pyridin-3-ide?
The InChIKey is BXKURFFEASNVBH-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8N.BrH.Zn/c1-6-4-3-5-7(2)8-6;;/h3-4H,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);2,6-dimethyl-3H-pyridin-3-ide?
bromozinc(1+);2,6-dimethyl-3H-pyridin-3-ide has a molecular weight of 251.44 g/mol, XLogP of 2.34, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);2,6-dimethyl-3H-pyridin-3-ide is sourced from PubChem (CID 59470147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).