ethyl (2Z)-2-(5-bromo-2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate

C9H9BrFN3O2 — CID 59832332

IUPACethyl (2Z)-2-(5-bromo-2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate
SMILESCCOC(=O)/C(=N\N)c1cc(Br)cnc1F
InChIInChI=1S/C9H9BrFN3O2/c1-2-16-9(15)7(14-12)6-3-5(10)4-13-8(6)11/h3-4H,2,12H2,1H3/b14-7-
InChIKeyKMFJYAPNQBPYFV-AUWJEWJLSA-N
MW290.09 g/mol
LogP1.21
Rot. Bonds3

About ethyl (2Z)-2-(5-bromo-2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate

ethyl (2Z)-2-(5-bromo-2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate (PubChem CID 59832332) has the molecular formula C9H9BrFN3O2 and a molecular weight of 290.09 g/mol. Its IUPAC name is ethyl (2Z)-2-(5-bromo-2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(5-bromo-2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate
PubChem CID59832332
Molecular FormulaC9H9BrFN3O2
Molecular Weight290.09 g/mol
Exact Mass288.99
IUPAC Nameethyl (2Z)-2-(5-bromo-2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate
SMILESCCOC(=O)/C(=N\N)c1cc(Br)cnc1F
InChIInChI=1S/C9H9BrFN3O2/c1-2-16-9(15)7(14-12)6-3-5(10)4-13-8(6)11/h3-4H,2,12H2,1H3/b14-7-
InChIKeyKMFJYAPNQBPYFV-AUWJEWJLSA-N
XLogP1.21
TPSA77.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.09
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'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 (2Z)-2-(2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate;propan-2-yl (2Z)-2-(2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate
CID 172944861
5-bromo-2-fluoropyridine-3-carbonyl fluoride
CID 169030811
ethyl 2,5-dibromopyridine-3-carboxylate
CID 46311328
5-bromo-2-fluoro-N-methylpyridine-3-carboxamide
CID 74890483
ethyl 2-(5-bromo-2-methyl-3-pyridinyl)acetate
CID 133098025
ethyl 2-(3,5-dichloropyrazin-2-yl)-2-hydrazinylideneacetate
CID 151173932
ethyl 2-[(5-bromo-3-methyl-2-pyridinyl)amino]-2-oxoacetate
CID 83170551
ethyl 2-[(2-amino-5-bromo-3-pyridinyl)methylimino]propanoate
CID 143612144
ethyl 2-(5-bromo-2-fluorophenyl)-2-[(S)-tert-butylsulfinyl]iminoacetate
CID 86651223
ethyl N-(2-amino-5-bromo-3-pyridinyl)carbamate
CID 67086431
5-bromo-2-methylpyridine-3-carbohydrazide
CID 133061370
ethyl 2-(4-bromo-2-fluorophenyl)-2-oxoacetate
CID 24722240

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(5-bromo-2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate?
The IUPAC name of ethyl (2Z)-2-(5-bromo-2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate (CID 59832332) is ethyl (2Z)-2-(5-bromo-2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate.
What is the SMILES notation for ethyl (2Z)-2-(5-bromo-2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate?
The canonical SMILES for ethyl (2Z)-2-(5-bromo-2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate is CCOC(=O)/C(=N\N)c1cc(Br)cnc1F.
What is the InChIKey of ethyl (2Z)-2-(5-bromo-2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate?
The InChIKey is KMFJYAPNQBPYFV-AUWJEWJLSA-N. The full InChI is InChI=1S/C9H9BrFN3O2/c1-2-16-9(15)7(14-12)6-3-5(10)4-13-8(6)11/h3-4H,2,12H2,1H3/b14-7-.
What are the key properties of ethyl (2Z)-2-(5-bromo-2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate?
ethyl (2Z)-2-(5-bromo-2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate has a molecular weight of 290.09 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(5-bromo-2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate is sourced from PubChem (CID 59832332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).