3-bromo-2H-pyridin-2-ide;bromozinc(1+)

C5H3Br2NZn — CID 146002106

IUPAC3-bromo-2H-pyridin-2-ide;bromozinc(1+)
SMILESBrc1[c-]nccc1.[Zn+]Br
InChIInChI=1S/C5H3BrN.BrH.Zn/c6-5-2-1-3-7-4-5;;/h1-3H;1H;/q-1;;+2/p-1
InChIKeyAVXKALFHNUDGKN-UHFFFAOYSA-M
MW302.28 g/mol
LogP2.49
Rot. Bonds

About 3-bromo-2H-pyridin-2-ide;bromozinc(1+)

3-bromo-2H-pyridin-2-ide;bromozinc(1+) (PubChem CID 146002106) has the molecular formula C5H3Br2NZn and a molecular weight of 302.28 g/mol. Its IUPAC name is 3-bromo-2H-pyridin-2-ide;bromozinc(1+).

Molecular Properties

Compound Name3-bromo-2H-pyridin-2-ide;bromozinc(1+)
PubChem CID146002106
Molecular FormulaC5H3Br2NZn
Molecular Weight302.28 g/mol
Exact Mass298.79
IUPAC Name3-bromo-2H-pyridin-2-ide;bromozinc(1+)
SMILESBrc1[c-]nccc1.[Zn+]Br
InChIInChI=1S/C5H3BrN.BrH.Zn/c6-5-2-1-3-7-4-5;;/h1-3H;1H;/q-1;;+2/p-1
InChIKeyAVXKALFHNUDGKN-UHFFFAOYSA-M
XLogP2.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.28
LogP ≤ 52.49
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 3-bromo-2H-pyridin-2-ide;bromozinc(1+)?
The IUPAC name of 3-bromo-2H-pyridin-2-ide;bromozinc(1+) (CID 146002106) is 3-bromo-2H-pyridin-2-ide;bromozinc(1+).
What is the SMILES notation for 3-bromo-2H-pyridin-2-ide;bromozinc(1+)?
The canonical SMILES for 3-bromo-2H-pyridin-2-ide;bromozinc(1+) is Brc1[c-]nccc1.[Zn+]Br.
What is the InChIKey of 3-bromo-2H-pyridin-2-ide;bromozinc(1+)?
The InChIKey is AVXKALFHNUDGKN-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H3BrN.BrH.Zn/c6-5-2-1-3-7-4-5;;/h1-3H;1H;/q-1;;+2/p-1.
What are the key properties of 3-bromo-2H-pyridin-2-ide;bromozinc(1+)?
3-bromo-2H-pyridin-2-ide;bromozinc(1+) has a molecular weight of 302.28 g/mol, XLogP of 2.49, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2H-pyridin-2-ide;bromozinc(1+) is sourced from PubChem (CID 146002106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).