zinc;propane;2H-pyridin-2-ide;hydrochloride

C8H12ClNZn — CID 87403106

IUPACzinc;propane;2H-pyridin-2-ide;hydrochloride
SMILESC[CH-]C.Cl.[Zn+2].[c-]1ccccn1
InChIInChI=1S/C5H4N.C3H7.ClH.Zn/c1-2-4-6-5-3-1;1-3-2;;/h1-4H;3H,1-2H3;1H;/q2*-1;;+2
InChIKeyGVKQTNLXHGPQAQ-UHFFFAOYSA-N
MW223.03 g/mol
LogP2.53
Rot. Bonds

About zinc;propane;2H-pyridin-2-ide;hydrochloride

zinc;propane;2H-pyridin-2-ide;hydrochloride (PubChem CID 87403106) has the molecular formula C8H12ClNZn and a molecular weight of 223.03 g/mol. Its IUPAC name is zinc;propane;2H-pyridin-2-ide;hydrochloride.

Molecular Properties

Compound Namezinc;propane;2H-pyridin-2-ide;hydrochloride
PubChem CID87403106
Molecular FormulaC8H12ClNZn
Molecular Weight223.03 g/mol
Exact Mass220.99
IUPAC Namezinc;propane;2H-pyridin-2-ide;hydrochloride
SMILESC[CH-]C.Cl.[Zn+2].[c-]1ccccn1
InChIInChI=1S/C5H4N.C3H7.ClH.Zn/c1-2-4-6-5-3-1;1-3-2;;/h1-4H;3H,1-2H3;1H;/q2*-1;;+2
InChIKeyGVKQTNLXHGPQAQ-UHFFFAOYSA-N
XLogP2.53
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.03
LogP ≤ 52.53
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;propane;2H-pyridin-2-ide;hydrochloride?
The IUPAC name of zinc;propane;2H-pyridin-2-ide;hydrochloride (CID 87403106) is zinc;propane;2H-pyridin-2-ide;hydrochloride.
What is the SMILES notation for zinc;propane;2H-pyridin-2-ide;hydrochloride?
The canonical SMILES for zinc;propane;2H-pyridin-2-ide;hydrochloride is C[CH-]C.Cl.[Zn+2].[c-]1ccccn1.
What is the InChIKey of zinc;propane;2H-pyridin-2-ide;hydrochloride?
The InChIKey is GVKQTNLXHGPQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N.C3H7.ClH.Zn/c1-2-4-6-5-3-1;1-3-2;;/h1-4H;3H,1-2H3;1H;/q2*-1;;+2.
What are the key properties of zinc;propane;2H-pyridin-2-ide;hydrochloride?
zinc;propane;2H-pyridin-2-ide;hydrochloride has a molecular weight of 223.03 g/mol, XLogP of 2.53, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;propane;2H-pyridin-2-ide;hydrochloride is sourced from PubChem (CID 87403106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).