bromozinc(1+);2-chloro-5-(trifluoromethyl)-3H-pyridin-3-ide

C6H2BrClF3NZn — CID 146002114

IUPACbromozinc(1+);2-chloro-5-(trifluoromethyl)-3H-pyridin-3-ide
SMILESFC(F)(F)c1c[c-]c(Cl)nc1.[Zn+]Br
InChIInChI=1S/C6H2ClF3N.BrH.Zn/c7-5-2-1-4(3-11-5)6(8,9)10;;/h1,3H;1H;/q-1;;+2/p-1
InChIKeyYSKHWIMWYBAQRL-UHFFFAOYSA-M
MW325.83 g/mol
LogP3.40
Rot. Bonds

About bromozinc(1+);2-chloro-5-(trifluoromethyl)-3H-pyridin-3-ide

bromozinc(1+);2-chloro-5-(trifluoromethyl)-3H-pyridin-3-ide (PubChem CID 146002114) has the molecular formula C6H2BrClF3NZn and a molecular weight of 325.83 g/mol. Its IUPAC name is bromozinc(1+);2-chloro-5-(trifluoromethyl)-3H-pyridin-3-ide.

Molecular Properties

Compound Namebromozinc(1+);2-chloro-5-(trifluoromethyl)-3H-pyridin-3-ide
PubChem CID146002114
Molecular FormulaC6H2BrClF3NZn
Molecular Weight325.83 g/mol
Exact Mass322.83
IUPAC Namebromozinc(1+);2-chloro-5-(trifluoromethyl)-3H-pyridin-3-ide
SMILESFC(F)(F)c1c[c-]c(Cl)nc1.[Zn+]Br
InChIInChI=1S/C6H2ClF3N.BrH.Zn/c7-5-2-1-4(3-11-5)6(8,9)10;;/h1,3H;1H;/q-1;;+2/p-1
InChIKeyYSKHWIMWYBAQRL-UHFFFAOYSA-M
XLogP3.40
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.83
LogP ≤ 53.40
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 bromozinc(1+);2-chloro-5-(trifluoromethyl)-3H-pyridin-3-ide?
The IUPAC name of bromozinc(1+);2-chloro-5-(trifluoromethyl)-3H-pyridin-3-ide (CID 146002114) is bromozinc(1+);2-chloro-5-(trifluoromethyl)-3H-pyridin-3-ide.
What is the SMILES notation for bromozinc(1+);2-chloro-5-(trifluoromethyl)-3H-pyridin-3-ide?
The canonical SMILES for bromozinc(1+);2-chloro-5-(trifluoromethyl)-3H-pyridin-3-ide is FC(F)(F)c1c[c-]c(Cl)nc1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);2-chloro-5-(trifluoromethyl)-3H-pyridin-3-ide?
The InChIKey is YSKHWIMWYBAQRL-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H2ClF3N.BrH.Zn/c7-5-2-1-4(3-11-5)6(8,9)10;;/h1,3H;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);2-chloro-5-(trifluoromethyl)-3H-pyridin-3-ide?
bromozinc(1+);2-chloro-5-(trifluoromethyl)-3H-pyridin-3-ide has a molecular weight of 325.83 g/mol, XLogP of 3.40, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);2-chloro-5-(trifluoromethyl)-3H-pyridin-3-ide is sourced from PubChem (CID 146002114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).