bromozinc(1+);ethyl 2H-pyridin-2-ide-6-carboxylate

C8H8BrNO2Zn — CID 133144808

IUPACbromozinc(1+);ethyl 2H-pyridin-2-ide-6-carboxylate
SMILESCCOC(=O)c1ccc[c-]n1.[Zn+]Br
InChIInChI=1S/C8H8NO2.BrH.Zn/c1-2-11-8(10)7-5-3-4-6-9-7;;/h3-5H,2H2,1H3;1H;/q-1;;+2/p-1
InChIKeyPXWZYPAWCTUWKS-UHFFFAOYSA-M
MW295.45 g/mol
LogP1.90
Rot. Bonds2

About bromozinc(1+);ethyl 2H-pyridin-2-ide-6-carboxylate

bromozinc(1+);ethyl 2H-pyridin-2-ide-6-carboxylate (PubChem CID 133144808) has the molecular formula C8H8BrNO2Zn and a molecular weight of 295.45 g/mol. Its IUPAC name is bromozinc(1+);ethyl 2H-pyridin-2-ide-6-carboxylate.

Molecular Properties

Compound Namebromozinc(1+);ethyl 2H-pyridin-2-ide-6-carboxylate
PubChem CID133144808
Molecular FormulaC8H8BrNO2Zn
Molecular Weight295.45 g/mol
Exact Mass292.90
IUPAC Namebromozinc(1+);ethyl 2H-pyridin-2-ide-6-carboxylate
SMILESCCOC(=O)c1ccc[c-]n1.[Zn+]Br
InChIInChI=1S/C8H8NO2.BrH.Zn/c1-2-11-8(10)7-5-3-4-6-9-7;;/h3-5H,2H2,1H3;1H;/q-1;;+2/p-1
InChIKeyPXWZYPAWCTUWKS-UHFFFAOYSA-M
XLogP1.90
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.45
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

ethyl 6-bromopyridine-2-carboxylate
CID 2758810
ethyl pyridine-2-carboxylate
CID 17307
2-O-ethyl 6-O-tridecyl pyridine-2,6-dicarboxylate
CID 91732217
ethyl 6-(6-bromo-2-pyridinyl)pyridine-2-carboxylate
CID 10892158
bromozinc(1+);ethyl 2H-furan-2-ide-5-carboxylate
CID 54707075
ethyl 6-bromo-5-chloropyridine-2-carboxylate
CID 46311447
ethyl 6-phenyl-2H-pyrimidin-2-ide-4-carboxylate;yttrium
CID 134840915
(6-bromo-2-pyridinyl)methanol;ethyl 6-bromopyridine-2-carboxylate
CID 162039254
ethyl 6-bromo-5-hydroxypyridine-2-carboxylate
CID 117272848
ethyl 6-amino-5-chloropyridine-2-carboxylate
CID 138112595
ethyl 6-(2-aminopropoxy)pyridine-2-carboxylate
CID 155937838
ethyl 6-[(1S)-1-amino-2-hydroxyethyl]pyridine-2-carboxylate
CID 131869074

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);ethyl 2H-pyridin-2-ide-6-carboxylate?
The IUPAC name of bromozinc(1+);ethyl 2H-pyridin-2-ide-6-carboxylate (CID 133144808) is bromozinc(1+);ethyl 2H-pyridin-2-ide-6-carboxylate.
What is the SMILES notation for bromozinc(1+);ethyl 2H-pyridin-2-ide-6-carboxylate?
The canonical SMILES for bromozinc(1+);ethyl 2H-pyridin-2-ide-6-carboxylate is CCOC(=O)c1ccc[c-]n1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);ethyl 2H-pyridin-2-ide-6-carboxylate?
The InChIKey is PXWZYPAWCTUWKS-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8NO2.BrH.Zn/c1-2-11-8(10)7-5-3-4-6-9-7;;/h3-5H,2H2,1H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);ethyl 2H-pyridin-2-ide-6-carboxylate?
bromozinc(1+);ethyl 2H-pyridin-2-ide-6-carboxylate has a molecular weight of 295.45 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);ethyl 2H-pyridin-2-ide-6-carboxylate is sourced from PubChem (CID 133144808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).