bromozinc(1+);3H-pyridin-3-ide-6-carbonitrile

C6H3BrN2Zn — CID 131847492

IUPACbromozinc(1+);3H-pyridin-3-ide-6-carbonitrile
SMILESN#Cc1cc[c-]cn1.[Zn+]Br
InChIInChI=1S/C6H3N2.BrH.Zn/c7-5-6-3-1-2-4-8-6;;/h1,3-4H;1H;/q-1;;+2/p-1
InChIKeyDJPZFTUYDNLYDU-UHFFFAOYSA-M
MW248.40 g/mol
LogP1.60
Rot. Bonds

About bromozinc(1+);3H-pyridin-3-ide-6-carbonitrile

bromozinc(1+);3H-pyridin-3-ide-6-carbonitrile (PubChem CID 131847492) has the molecular formula C6H3BrN2Zn and a molecular weight of 248.40 g/mol. Its IUPAC name is bromozinc(1+);3H-pyridin-3-ide-6-carbonitrile.

Molecular Properties

Compound Namebromozinc(1+);3H-pyridin-3-ide-6-carbonitrile
PubChem CID131847492
Molecular FormulaC6H3BrN2Zn
Molecular Weight248.40 g/mol
Exact Mass245.88
IUPAC Namebromozinc(1+);3H-pyridin-3-ide-6-carbonitrile
SMILESN#Cc1cc[c-]cn1.[Zn+]Br
InChIInChI=1S/C6H3N2.BrH.Zn/c7-5-6-3-1-2-4-8-6;;/h1,3-4H;1H;/q-1;;+2/p-1
InChIKeyDJPZFTUYDNLYDU-UHFFFAOYSA-M
XLogP1.60
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.40
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);3H-pyridin-3-ide-6-carbonitrile?
The IUPAC name of bromozinc(1+);3H-pyridin-3-ide-6-carbonitrile (CID 131847492) is bromozinc(1+);3H-pyridin-3-ide-6-carbonitrile.
What is the SMILES notation for bromozinc(1+);3H-pyridin-3-ide-6-carbonitrile?
The canonical SMILES for bromozinc(1+);3H-pyridin-3-ide-6-carbonitrile is N#Cc1cc[c-]cn1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);3H-pyridin-3-ide-6-carbonitrile?
The InChIKey is DJPZFTUYDNLYDU-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H3N2.BrH.Zn/c7-5-6-3-1-2-4-8-6;;/h1,3-4H;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);3H-pyridin-3-ide-6-carbonitrile?
bromozinc(1+);3H-pyridin-3-ide-6-carbonitrile has a molecular weight of 248.40 g/mol, XLogP of 1.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);3H-pyridin-3-ide-6-carbonitrile is sourced from PubChem (CID 131847492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).