bromozinc(1+);methyl 2H-pyridin-2-ide-5-carboxylate

C7H6BrNO2Zn — CID 146002586

IUPACbromozinc(1+);methyl 2H-pyridin-2-ide-5-carboxylate
SMILESCOC(=O)c1cc[c-]nc1.[Zn+]Br
InChIInChI=1S/C7H6NO2.BrH.Zn/c1-10-7(9)6-3-2-4-8-5-6;;/h2-3,5H,1H3;1H;/q-1;;+2/p-1
InChIKeyBUGWDLKZQRANSH-UHFFFAOYSA-M
MW281.42 g/mol
LogP1.51
Rot. Bonds1

About bromozinc(1+);methyl 2H-pyridin-2-ide-5-carboxylate

bromozinc(1+);methyl 2H-pyridin-2-ide-5-carboxylate (PubChem CID 146002586) has the molecular formula C7H6BrNO2Zn and a molecular weight of 281.42 g/mol. Its IUPAC name is bromozinc(1+);methyl 2H-pyridin-2-ide-5-carboxylate.

Molecular Properties

Compound Namebromozinc(1+);methyl 2H-pyridin-2-ide-5-carboxylate
PubChem CID146002586
Molecular FormulaC7H6BrNO2Zn
Molecular Weight281.42 g/mol
Exact Mass278.89
IUPAC Namebromozinc(1+);methyl 2H-pyridin-2-ide-5-carboxylate
SMILESCOC(=O)c1cc[c-]nc1.[Zn+]Br
InChIInChI=1S/C7H6NO2.BrH.Zn/c1-10-7(9)6-3-2-4-8-5-6;;/h2-3,5H,1H3;1H;/q-1;;+2/p-1
InChIKeyBUGWDLKZQRANSH-UHFFFAOYSA-M
XLogP1.51
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 51.51
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

Methyl 2-methoxy-3H-azepine-6-carboxylate
CID 13225919
ethyl 2H-pyridin-2-ide-5-carboxylate;tungsten
CID 57855547
methyl 6-methyl-4H-pyridin-4-ide-3-carboxylate;rutherfordium
CID 59876406
methyl 6-chloro-4H-pyridin-4-ide-3-carboxylate;rutherfordium
CID 59876413
Methyl 2-[(methylideneamino)methylidene]pent-3-enoate
CID 123258767
chlorozinc(1+);methyl 2H-pyridin-2-ide-5-carboxylate
CID 156248083
methyl 2H-pyridin-2-ide-5-carboxylate;yttrium
CID 167711301
potassium methyl 2H-pyridin-2-ide-5-carboxylate
CID 174496363
methyl (Z,2E)-2-[(methylideneamino)methylidene]pent-3-enoate
CID 175637730
(4-(Methoxycarbonyl)pyridin-2-yl)Zinc bromide
CID 133144795
(5-(Ethoxycarbonyl)pyridin-3-yl)Zinc bromide
CID 133144807
bromozinc(1+);methyl 6-chloro-3H-pyridin-3-ide-5-carboxylate
CID 146002591

Frequently Asked Questions

What is the IUPAC name of bromozinc(1+);methyl 2H-pyridin-2-ide-5-carboxylate?
The IUPAC name of bromozinc(1+);methyl 2H-pyridin-2-ide-5-carboxylate (CID 146002586) is bromozinc(1+);methyl 2H-pyridin-2-ide-5-carboxylate.
What is the SMILES notation for bromozinc(1+);methyl 2H-pyridin-2-ide-5-carboxylate?
The canonical SMILES for bromozinc(1+);methyl 2H-pyridin-2-ide-5-carboxylate is COC(=O)c1cc[c-]nc1.[Zn+]Br.
What is the InChIKey of bromozinc(1+);methyl 2H-pyridin-2-ide-5-carboxylate?
The InChIKey is BUGWDLKZQRANSH-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H6NO2.BrH.Zn/c1-10-7(9)6-3-2-4-8-5-6;;/h2-3,5H,1H3;1H;/q-1;;+2/p-1.
What are the key properties of bromozinc(1+);methyl 2H-pyridin-2-ide-5-carboxylate?
bromozinc(1+);methyl 2H-pyridin-2-ide-5-carboxylate has a molecular weight of 281.42 g/mol, XLogP of 1.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bromozinc(1+);methyl 2H-pyridin-2-ide-5-carboxylate is sourced from PubChem (CID 146002586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).