ethyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate

C11H17N3O4 — CID 171897191

IUPACethyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate
SMILESCCOC(=O)CC(O)C(O)c1ccc(NN)nc1
InChIInChI=1S/C11H17N3O4/c1-2-18-10(16)5-8(15)11(17)7-3-4-9(14-12)13-6-7/h3-4,6,8,11,15,17H,2,5,12H2,1H3,(H,13,14)
InChIKeyJLBZUNZRHWWNTG-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.29
Rot. Bonds6

About ethyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate

ethyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate (PubChem CID 171897191) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is ethyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate.

Molecular Properties

Compound Nameethyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate
PubChem CID171897191
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Nameethyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate
SMILESCCOC(=O)CC(O)C(O)c1ccc(NN)nc1
InChIInChI=1S/C11H17N3O4/c1-2-18-10(16)5-8(15)11(17)7-3-4-9(14-12)13-6-7/h3-4,6,8,11,15,17H,2,5,12H2,1H3,(H,13,14)
InChIKeyJLBZUNZRHWWNTG-UHFFFAOYSA-N
XLogP-0.29
TPSA117.70 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.29
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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

methyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171895400
ethyl 4-(6-amino-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171896832
ethyl 4-(2-fluoropyrimidin-5-yl)-3,4-dihydroxybutanoate
CID 171896822
methyl 4-(6-ethoxy-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171895710
4-amino-1-(6-hydrazinyl-3-pyridinyl)butane-1,2-diol
CID 171881066
ethyl 3,4-dihydroxy-4-(4-hydroxyphenyl)butanoate
CID 171896820
4-(6-ethoxy-3-pyridinyl)-3,4-dihydroxybutanamide
CID 171899294
ethyl 3,4-dihydroxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)butanoate
CID 171897537
ethyl 3,4-dihydroxy-4-(5-hydroxypyrimidin-2-yl)butanoate
CID 171896844
ethyl 4-[4-(carbamoylamino)phenyl]-3,4-dihydroxybutanoate
CID 171897779
ethyl 4-(5-amino-6-chloro-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171897024
methyl 3,4-dihydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]butanoate
CID 171895993

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate?
The IUPAC name of ethyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate (CID 171897191) is ethyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate.
What is the SMILES notation for ethyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate?
The canonical SMILES for ethyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate is CCOC(=O)CC(O)C(O)c1ccc(NN)nc1.
What is the InChIKey of ethyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate?
The InChIKey is JLBZUNZRHWWNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-2-18-10(16)5-8(15)11(17)7-3-4-9(14-12)13-6-7/h3-4,6,8,11,15,17H,2,5,12H2,1H3,(H,13,14).
What are the key properties of ethyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate?
ethyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate has a molecular weight of 255.27 g/mol, XLogP of -0.29, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate is sourced from PubChem (CID 171897191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).