5-methyl-2H-pyridin-2-ide;zinc;hydrobromide

C6H7BrNZn- — CID 87079947

IUPAC5-methyl-2H-pyridin-2-ide;zinc;hydrobromide
SMILESBr.Cc1cc[c-]nc1.[Zn]
InChIInChI=1S/C6H6N.BrH.Zn/c1-6-3-2-4-7-5-6;;/h2-3,5H,1H3;1H;/q-1;;
InChIKeyYNVQGZVHPHAJOS-UHFFFAOYSA-N
MW238.42 g/mol
LogP1.77
Rot. Bonds

About 5-methyl-2H-pyridin-2-ide;zinc;hydrobromide

5-methyl-2H-pyridin-2-ide;zinc;hydrobromide (PubChem CID 87079947) has the molecular formula C6H7BrNZn- and a molecular weight of 238.42 g/mol. Its IUPAC name is 5-methyl-2H-pyridin-2-ide;zinc;hydrobromide.

Molecular Properties

Compound Name5-methyl-2H-pyridin-2-ide;zinc;hydrobromide
PubChem CID87079947
Molecular FormulaC6H7BrNZn-
Molecular Weight238.42 g/mol
Exact Mass235.91
IUPAC Name5-methyl-2H-pyridin-2-ide;zinc;hydrobromide
SMILESBr.Cc1cc[c-]nc1.[Zn]
InChIInChI=1S/C6H6N.BrH.Zn/c1-6-3-2-4-7-5-6;;/h2-3,5H,1H3;1H;/q-1;;
InChIKeyYNVQGZVHPHAJOS-UHFFFAOYSA-N
XLogP1.77
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 51.77
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 5-methyl-2H-pyridin-2-ide;zinc;hydrobromide?
The IUPAC name of 5-methyl-2H-pyridin-2-ide;zinc;hydrobromide (CID 87079947) is 5-methyl-2H-pyridin-2-ide;zinc;hydrobromide.
What is the SMILES notation for 5-methyl-2H-pyridin-2-ide;zinc;hydrobromide?
The canonical SMILES for 5-methyl-2H-pyridin-2-ide;zinc;hydrobromide is Br.Cc1cc[c-]nc1.[Zn].
What is the InChIKey of 5-methyl-2H-pyridin-2-ide;zinc;hydrobromide?
The InChIKey is YNVQGZVHPHAJOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N.BrH.Zn/c1-6-3-2-4-7-5-6;;/h2-3,5H,1H3;1H;/q-1;;.
What are the key properties of 5-methyl-2H-pyridin-2-ide;zinc;hydrobromide?
5-methyl-2H-pyridin-2-ide;zinc;hydrobromide has a molecular weight of 238.42 g/mol, XLogP of 1.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2H-pyridin-2-ide;zinc;hydrobromide is sourced from PubChem (CID 87079947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).