chlorozinc(1+);6-fluoro-3H-pyridin-3-ide

C5H3ClFNZn — CID 135085900

IUPACchlorozinc(1+);6-fluoro-3H-pyridin-3-ide
SMILESCl[Zn+].Fc1cc[c-]cn1
InChIInChI=1S/C5H3FN.ClH.Zn/c6-5-3-1-2-4-7-5;;/h1,3-4H;1H;/q-1;;+2/p-1
InChIKeyFXDPXEBAAGEFKC-UHFFFAOYSA-M
MW196.93 g/mol
LogP1.71
Rot. Bonds

About chlorozinc(1+);6-fluoro-3H-pyridin-3-ide

chlorozinc(1+);6-fluoro-3H-pyridin-3-ide (PubChem CID 135085900) has the molecular formula C5H3ClFNZn and a molecular weight of 196.93 g/mol. Its IUPAC name is chlorozinc(1+);6-fluoro-3H-pyridin-3-ide.

Molecular Properties

Compound Namechlorozinc(1+);6-fluoro-3H-pyridin-3-ide
PubChem CID135085900
Molecular FormulaC5H3ClFNZn
Molecular Weight196.93 g/mol
Exact Mass194.92
IUPAC Namechlorozinc(1+);6-fluoro-3H-pyridin-3-ide
SMILESCl[Zn+].Fc1cc[c-]cn1
InChIInChI=1S/C5H3FN.ClH.Zn/c6-5-3-1-2-4-7-5;;/h1,3-4H;1H;/q-1;;+2/p-1
InChIKeyFXDPXEBAAGEFKC-UHFFFAOYSA-M
XLogP1.71
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.93
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 chlorozinc(1+);6-fluoro-3H-pyridin-3-ide?
The IUPAC name of chlorozinc(1+);6-fluoro-3H-pyridin-3-ide (CID 135085900) is chlorozinc(1+);6-fluoro-3H-pyridin-3-ide.
What is the SMILES notation for chlorozinc(1+);6-fluoro-3H-pyridin-3-ide?
The canonical SMILES for chlorozinc(1+);6-fluoro-3H-pyridin-3-ide is Cl[Zn+].Fc1cc[c-]cn1.
What is the InChIKey of chlorozinc(1+);6-fluoro-3H-pyridin-3-ide?
The InChIKey is FXDPXEBAAGEFKC-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H3FN.ClH.Zn/c6-5-3-1-2-4-7-5;;/h1,3-4H;1H;/q-1;;+2/p-1.
What are the key properties of chlorozinc(1+);6-fluoro-3H-pyridin-3-ide?
chlorozinc(1+);6-fluoro-3H-pyridin-3-ide has a molecular weight of 196.93 g/mol, XLogP of 1.71, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chlorozinc(1+);6-fluoro-3H-pyridin-3-ide is sourced from PubChem (CID 135085900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).