ethyl (2Z)-2-(2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate;propan-2-yl (2Z)-2-(2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate

C19H22F2N6O4 — CID 172944861

IUPACethyl (2Z)-2-(2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate;propan-2-yl (2Z)-2-(2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate
SMILESCC(C)OC(=O)/C(=N\N)c1cccnc1F.CCOC(=O)/C(=N\N)c1cccnc1F
InChIInChI=1S/C10H12FN3O2.C9H10FN3O2/c1-6(2)16-10(15)8(14-12)7-4-3-5-13-9(7)11;1-2-15-9(14)7(13-11)6-4-3-5-12-8(6)10/h3-6H,12H2,1-2H3;3-5H,2,11H2,1H3/b14-8-;13-7-
InChIKeyACNBXJQVRFXZOB-WQBVHFBOSA-N
MW436.42 g/mol
LogP1.28
Rot. Bonds6

About ethyl (2Z)-2-(2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate;propan-2-yl (2Z)-2-(2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate

ethyl (2Z)-2-(2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate;propan-2-yl (2Z)-2-(2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate (PubChem CID 172944861) has the molecular formula C19H22F2N6O4 and a molecular weight of 436.42 g/mol. Its IUPAC name is ethyl (2Z)-2-(2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate;propan-2-yl (2Z)-2-(2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate.

Molecular Properties

Compound Nameethyl (2Z)-2-(2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate;propan-2-yl (2Z)-2-(2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate
PubChem CID172944861
Molecular FormulaC19H22F2N6O4
Molecular Weight436.42 g/mol
Exact Mass436.17
IUPAC Nameethyl (2Z)-2-(2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate;propan-2-yl (2Z)-2-(2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate
SMILESCC(C)OC(=O)/C(=N\N)c1cccnc1F.CCOC(=O)/C(=N\N)c1cccnc1F
InChIInChI=1S/C10H12FN3O2.C9H10FN3O2/c1-6(2)16-10(15)8(14-12)7-4-3-5-13-9(7)11;1-2-15-9(14)7(13-11)6-4-3-5-12-8(6)10/h3-6H,12H2,1-2H3;3-5H,2,11H2,1H3/b14-8-;13-7-
InChIKeyACNBXJQVRFXZOB-WQBVHFBOSA-N
XLogP1.28
TPSA155.14 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.42
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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-(5-bromo-2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate
CID 59832332
2-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 83404912
ethyl 2-amino-3-(2-fluoro-3-pyridinyl)propanoate
CID 66518197
methyl (2S)-2-[(2-fluoropyridine-3-carbonyl)amino]propanoate
CID 107358613
1-(2-fluoro-3-pyridinyl)-2-methoxyethanone
CID 25193879
ethyl (2E)-2-hydroxyimino-2-pyridazin-3-ylacetate
CID 140668616
2-fluoro-N-methyl-N-(2-methylbutyl)pyridine-3-carboxamide
CID 107363082
methyl 2-[(2-fluoropyridine-3-carbonyl)amino]-3-methylbutanoate
CID 107358834
dipropan-2-yl pyridine-2,3-dicarboxylate
CID 14745930
1,2-bis(2-ethoxyphenyl)-2-hydrazinylideneethanone
CID 154414332
1-(2-fluoro-3-pyridinyl)-2,2-dimethylpropan-1-one
CID 58960984
ethyl 2-(3-methyl-2-pyridinyl)-2-oxoacetate
CID 53419388

Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-(2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate;propan-2-yl (2Z)-2-(2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate?
The IUPAC name of ethyl (2Z)-2-(2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate;propan-2-yl (2Z)-2-(2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate (CID 172944861) is ethyl (2Z)-2-(2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate;propan-2-yl (2Z)-2-(2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate.
What is the SMILES notation for ethyl (2Z)-2-(2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate;propan-2-yl (2Z)-2-(2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate?
The canonical SMILES for ethyl (2Z)-2-(2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate;propan-2-yl (2Z)-2-(2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate is CC(C)OC(=O)/C(=N\N)c1cccnc1F.CCOC(=O)/C(=N\N)c1cccnc1F.
What is the InChIKey of ethyl (2Z)-2-(2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate;propan-2-yl (2Z)-2-(2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate?
The InChIKey is ACNBXJQVRFXZOB-WQBVHFBOSA-N. The full InChI is InChI=1S/C10H12FN3O2.C9H10FN3O2/c1-6(2)16-10(15)8(14-12)7-4-3-5-13-9(7)11;1-2-15-9(14)7(13-11)6-4-3-5-12-8(6)10/h3-6H,12H2,1-2H3;3-5H,2,11H2,1H3/b14-8-;13-7-.
What are the key properties of ethyl (2Z)-2-(2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate;propan-2-yl (2Z)-2-(2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate?
ethyl (2Z)-2-(2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate;propan-2-yl (2Z)-2-(2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate has a molecular weight of 436.42 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-(2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate;propan-2-yl (2Z)-2-(2-fluoro-3-pyridinyl)-2-hydrazinylideneacetate is sourced from PubChem (CID 172944861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).