zinc;6-propan-2-yl-2H-pyridin-2-ide;chloride

C8H10ClNZn — CID 87403105

IUPACzinc;6-propan-2-yl-2H-pyridin-2-ide;chloride
SMILESCC(C)c1ccc[c-]n1.[Cl-].[Zn+2]
InChIInChI=1S/C8H10N.ClH.Zn/c1-7(2)8-5-3-4-6-9-8;;/h3-5,7H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyUMERXIARNJEFNT-UHFFFAOYSA-M
MW221.02 g/mol
LogP-0.99
Rot. Bonds1

About zinc;6-propan-2-yl-2H-pyridin-2-ide;chloride

zinc;6-propan-2-yl-2H-pyridin-2-ide;chloride (PubChem CID 87403105) has the molecular formula C8H10ClNZn and a molecular weight of 221.02 g/mol. Its IUPAC name is zinc;6-propan-2-yl-2H-pyridin-2-ide;chloride.

Molecular Properties

Compound Namezinc;6-propan-2-yl-2H-pyridin-2-ide;chloride
PubChem CID87403105
Molecular FormulaC8H10ClNZn
Molecular Weight221.02 g/mol
Exact Mass218.98
IUPAC Namezinc;6-propan-2-yl-2H-pyridin-2-ide;chloride
SMILESCC(C)c1ccc[c-]n1.[Cl-].[Zn+2]
InChIInChI=1S/C8H10N.ClH.Zn/c1-7(2)8-5-3-4-6-9-8;;/h3-5,7H,1-2H3;1H;/q-1;;+2/p-1
InChIKeyUMERXIARNJEFNT-UHFFFAOYSA-M
XLogP-0.99
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.02
LogP ≤ 5-0.99
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;6-propan-2-yl-2H-pyridin-2-ide;chloride?
The IUPAC name of zinc;6-propan-2-yl-2H-pyridin-2-ide;chloride (CID 87403105) is zinc;6-propan-2-yl-2H-pyridin-2-ide;chloride.
What is the SMILES notation for zinc;6-propan-2-yl-2H-pyridin-2-ide;chloride?
The canonical SMILES for zinc;6-propan-2-yl-2H-pyridin-2-ide;chloride is CC(C)c1ccc[c-]n1.[Cl-].[Zn+2].
What is the InChIKey of zinc;6-propan-2-yl-2H-pyridin-2-ide;chloride?
The InChIKey is UMERXIARNJEFNT-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H10N.ClH.Zn/c1-7(2)8-5-3-4-6-9-8;;/h3-5,7H,1-2H3;1H;/q-1;;+2/p-1.
What are the key properties of zinc;6-propan-2-yl-2H-pyridin-2-ide;chloride?
zinc;6-propan-2-yl-2H-pyridin-2-ide;chloride has a molecular weight of 221.02 g/mol, XLogP of -0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;6-propan-2-yl-2H-pyridin-2-ide;chloride is sourced from PubChem (CID 87403105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).