ethyl 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]acetate

C9H12Cl2N4O2 — CID 102761686

IUPACethyl 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]acetate
SMILESCCOC(=O)CNc1nc(NN)c(Cl)cc1Cl
InChIInChI=1S/C9H12Cl2N4O2/c1-2-17-7(16)4-13-8-5(10)3-6(11)9(14-8)15-12/h3H,2,4,12H2,1H3,(H2,13,14,15)
InChIKeyQTLQALHQGRSSPY-UHFFFAOYSA-N
MW279.13 g/mol
LogP1.65
Rot. Bonds5

About ethyl 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]acetate

ethyl 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]acetate (PubChem CID 102761686) has the molecular formula C9H12Cl2N4O2 and a molecular weight of 279.13 g/mol. Its IUPAC name is ethyl 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]acetate
PubChem CID102761686
Molecular FormulaC9H12Cl2N4O2
Molecular Weight279.13 g/mol
Exact Mass278.03
IUPAC Nameethyl 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]acetate
SMILESCCOC(=O)CNc1nc(NN)c(Cl)cc1Cl
InChIInChI=1S/C9H12Cl2N4O2/c1-2-17-7(16)4-13-8-5(10)3-6(11)9(14-8)15-12/h3H,2,4,12H2,1H3,(H2,13,14,15)
InChIKeyQTLQALHQGRSSPY-UHFFFAOYSA-N
XLogP1.65
TPSA89.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.13
LogP ≤ 51.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-[(6-amino-3,5-dichloro-2-pyridinyl)amino]acetate
CID 102756332
2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-N,N-diethylacetamide
CID 102762537
ethyl 2-[(3,5-dichloro-2-pyridinyl)amino]acetate
CID 60811106
3-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-N,N-diethylpropanamide
CID 102762551
ethyl 2-[(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)amino]acetate
CID 80995205
ethyl 2-[(6-chloro-3-nitro-2-pyridinyl)amino]acetate
CID 15617221
3,5-dichloro-N-[(4-ethylphenyl)methyl]-6-hydrazinylpyridin-2-amine
CID 106901036
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N,N-diethylacetamide
CID 102759629
ethyl 2-(2-chloro-5-methylanilino)acetate
CID 103768009
ethyl 2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]acetate
CID 80899244
N-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 102762401
3,5-dichloro-6-hydrazinyl-N-(4-methoxybutyl)pyridin-2-amine
CID 102761891

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]acetate?
The IUPAC name of ethyl 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]acetate (CID 102761686) is ethyl 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]acetate?
The canonical SMILES for ethyl 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]acetate is CCOC(=O)CNc1nc(NN)c(Cl)cc1Cl.
What is the InChIKey of ethyl 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]acetate?
The InChIKey is QTLQALHQGRSSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12Cl2N4O2/c1-2-17-7(16)4-13-8-5(10)3-6(11)9(14-8)15-12/h3H,2,4,12H2,1H3,(H2,13,14,15).
What are the key properties of ethyl 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]acetate?
ethyl 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]acetate has a molecular weight of 279.13 g/mol, XLogP of 1.65, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]acetate is sourced from PubChem (CID 102761686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).