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

C7H8BrNOZn — CID 133144566

IUPACbromozinc(1+);6-ethoxy-3H-pyridin-3-ide
SMILESCCOc1cc[c-]cn1.[Zn+]Br
InChIInChI=1S/C7H8NO.BrH.Zn/c1-2-9-7-5-3-4-6-8-7;;/h3,5-6H,2H2,1H3;1H;/q-1;;+2/p-1
InChIKeyCMMJZXYESNQSSR-UHFFFAOYSA-M
MW267.44 g/mol
LogP2.12
Rot. Bonds2

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

bromozinc(1+);6-ethoxy-3H-pyridin-3-ide (PubChem CID 133144566) has the molecular formula C7H8BrNOZn and a molecular weight of 267.44 g/mol. Its IUPAC name is bromozinc(1+);6-ethoxy-3H-pyridin-3-ide.

Molecular Properties

Compound Namebromozinc(1+);6-ethoxy-3H-pyridin-3-ide
PubChem CID133144566
Molecular FormulaC7H8BrNOZn
Molecular Weight267.44 g/mol
Exact Mass264.91
IUPAC Namebromozinc(1+);6-ethoxy-3H-pyridin-3-ide
SMILESCCOc1cc[c-]cn1.[Zn+]Br
InChIInChI=1S/C7H8NO.BrH.Zn/c1-2-9-7-5-3-4-6-8-7;;/h3,5-6H,2H2,1H3;1H;/q-1;;+2/p-1
InChIKeyCMMJZXYESNQSSR-UHFFFAOYSA-M
XLogP2.12
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 52.12
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+);6-ethoxy-3H-pyridin-3-ide?
The IUPAC name of bromozinc(1+);6-ethoxy-3H-pyridin-3-ide (CID 133144566) is bromozinc(1+);6-ethoxy-3H-pyridin-3-ide.
What is the SMILES notation for bromozinc(1+);6-ethoxy-3H-pyridin-3-ide?
The canonical SMILES for bromozinc(1+);6-ethoxy-3H-pyridin-3-ide is CCOc1cc[c-]cn1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);6-ethoxy-3H-pyridin-3-ide?
The InChIKey is CMMJZXYESNQSSR-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8NO.BrH.Zn/c1-2-9-7-5-3-4-6-8-7;;/h3,5-6H,2H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);6-ethoxy-3H-pyridin-3-ide?
bromozinc(1+);6-ethoxy-3H-pyridin-3-ide has a molecular weight of 267.44 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);6-ethoxy-3H-pyridin-3-ide is sourced from PubChem (CID 133144566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).