zinc;3-bromo-4H-pyridin-4-ide;chloride

C5H3BrClNZn — CID 87599037

IUPACzinc;3-bromo-4H-pyridin-4-ide;chloride
SMILESBrc1[c-]ccnc1.[Cl-].[Zn+2]
InChIInChI=1S/C5H3BrN.ClH.Zn/c6-5-2-1-3-7-4-5;;/h1,3-4H;1H;/q-1;;+2/p-1
InChIKeyIJOBGQXNGIBUBP-UHFFFAOYSA-M
MW257.83 g/mol
LogP-1.35
Rot. Bonds

About zinc;3-bromo-4H-pyridin-4-ide;chloride

zinc;3-bromo-4H-pyridin-4-ide;chloride (PubChem CID 87599037) has the molecular formula C5H3BrClNZn and a molecular weight of 257.83 g/mol. Its IUPAC name is zinc;3-bromo-4H-pyridin-4-ide;chloride.

Molecular Properties

Compound Namezinc;3-bromo-4H-pyridin-4-ide;chloride
PubChem CID87599037
Molecular FormulaC5H3BrClNZn
Molecular Weight257.83 g/mol
Exact Mass254.84
IUPAC Namezinc;3-bromo-4H-pyridin-4-ide;chloride
SMILESBrc1[c-]ccnc1.[Cl-].[Zn+2]
InChIInChI=1S/C5H3BrN.ClH.Zn/c6-5-2-1-3-7-4-5;;/h1,3-4H;1H;/q-1;;+2/p-1
InChIKeyIJOBGQXNGIBUBP-UHFFFAOYSA-M
XLogP-1.35
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.83
LogP ≤ 5-1.35
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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Frequently Asked Questions

What is the IUPAC name of zinc;3-bromo-4H-pyridin-4-ide;chloride?
The IUPAC name of zinc;3-bromo-4H-pyridin-4-ide;chloride (CID 87599037) is zinc;3-bromo-4H-pyridin-4-ide;chloride.
What is the SMILES notation for zinc;3-bromo-4H-pyridin-4-ide;chloride?
The canonical SMILES for zinc;3-bromo-4H-pyridin-4-ide;chloride is Brc1[c-]ccnc1.[Cl-].[Zn+2].
What is the InChIKey of zinc;3-bromo-4H-pyridin-4-ide;chloride?
The InChIKey is IJOBGQXNGIBUBP-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H3BrN.ClH.Zn/c6-5-2-1-3-7-4-5;;/h1,3-4H;1H;/q-1;;+2/p-1.
What are the key properties of zinc;3-bromo-4H-pyridin-4-ide;chloride?
zinc;3-bromo-4H-pyridin-4-ide;chloride has a molecular weight of 257.83 g/mol, XLogP of -1.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;3-bromo-4H-pyridin-4-ide;chloride is sourced from PubChem (CID 87599037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).