ethyl 2-(3,5-dichloropyrazin-2-yl)-2-hydrazinylideneacetate

C8H8Cl2N4O2 — CID 151173932

IUPACethyl 2-(3,5-dichloropyrazin-2-yl)-2-hydrazinylideneacetate
SMILESCCOC(=O)C(=NN)c1ncc(Cl)nc1Cl
InChIInChI=1S/C8H8Cl2N4O2/c1-2-16-8(15)6(14-11)5-7(10)13-4(9)3-12-5/h3H,2,11H2,1H3
InChIKeyNCWDNNLGKMNRQX-UHFFFAOYSA-N
MW263.08 g/mol
LogP1.01
Rot. Bonds3

About ethyl 2-(3,5-dichloropyrazin-2-yl)-2-hydrazinylideneacetate

ethyl 2-(3,5-dichloropyrazin-2-yl)-2-hydrazinylideneacetate (PubChem CID 151173932) has the molecular formula C8H8Cl2N4O2 and a molecular weight of 263.08 g/mol. Its IUPAC name is ethyl 2-(3,5-dichloropyrazin-2-yl)-2-hydrazinylideneacetate.

Molecular Properties

Compound Nameethyl 2-(3,5-dichloropyrazin-2-yl)-2-hydrazinylideneacetate
PubChem CID151173932
Molecular FormulaC8H8Cl2N4O2
Molecular Weight263.08 g/mol
Exact Mass262.00
IUPAC Nameethyl 2-(3,5-dichloropyrazin-2-yl)-2-hydrazinylideneacetate
SMILESCCOC(=O)C(=NN)c1ncc(Cl)nc1Cl
InChIInChI=1S/C8H8Cl2N4O2/c1-2-16-8(15)6(14-11)5-7(10)13-4(9)3-12-5/h3H,2,11H2,1H3
InChIKeyNCWDNNLGKMNRQX-UHFFFAOYSA-N
XLogP1.01
TPSA90.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethyl 3,5-dichloropyrazine-2-carboxylate
CID 53419466
bis(3,5-dichloropyrazin-2-yl)methanone
CID 174592625
ethyl 3-chloro-5-methylpyrazine-2-carboxylate
CID 131280462
2-bromo-5-chloro-3-methylpyrazine;5-chloro-2-(1-ethoxyethenyl)-3-methylpyrazine
CID 178181743
ethyl 6-chloro-1-[1-(2,4-dichlorophenyl)ethyl]pyrazolo[3,4-b]pyrazine-3-carboxylate;ethyl (2E)-2-[1-(2,4-dichlorophenyl)ethylhydrazinylidene]-2-(3,5-dichloropyrazin-2-yl)acetate;ethyl (2Z)-2-[1-(2,4-dichlorophenyl)ethylhydrazinylidene]-2-(3,5-dichloropyrazin-2-yl)acetate
CID 159825810
ethyl (2Z)-2-(5-bromo-2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate
CID 59832332
ethyl 3-chloro-6-iodopyrazine-2-carboxylate
CID 139269907
ethyl 6-bromo-3-chloropyrazine-2-carboxylate
CID 130955436
ethyl 2-(6-chloro-3-pyridinyl)prop-2-enoate
CID 19082033
ethyl 2-hydrazinylidene-2-[5-[1-(2-hydroxyethyl)pyrazol-3-yl]-2-pyridinyl]acetate
CID 174311478
ethyl 2-(6-chloropyrazin-2-yl)acetate
CID 52987963
ethyl 2-(6-chloropyrazolo[3,4-b]pyrazin-1-yl)acetate
CID 167253717

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3,5-dichloropyrazin-2-yl)-2-hydrazinylideneacetate?
The IUPAC name of ethyl 2-(3,5-dichloropyrazin-2-yl)-2-hydrazinylideneacetate (CID 151173932) is ethyl 2-(3,5-dichloropyrazin-2-yl)-2-hydrazinylideneacetate.
What is the SMILES notation for ethyl 2-(3,5-dichloropyrazin-2-yl)-2-hydrazinylideneacetate?
The canonical SMILES for ethyl 2-(3,5-dichloropyrazin-2-yl)-2-hydrazinylideneacetate is CCOC(=O)C(=NN)c1ncc(Cl)nc1Cl.
What is the InChIKey of ethyl 2-(3,5-dichloropyrazin-2-yl)-2-hydrazinylideneacetate?
The InChIKey is NCWDNNLGKMNRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2N4O2/c1-2-16-8(15)6(14-11)5-7(10)13-4(9)3-12-5/h3H,2,11H2,1H3.
What are the key properties of ethyl 2-(3,5-dichloropyrazin-2-yl)-2-hydrazinylideneacetate?
ethyl 2-(3,5-dichloropyrazin-2-yl)-2-hydrazinylideneacetate has a molecular weight of 263.08 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3,5-dichloropyrazin-2-yl)-2-hydrazinylideneacetate is sourced from PubChem (CID 151173932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).