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

C10H15N3O4 — CID 171895400

IUPACmethyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate
SMILESCOC(=O)CC(O)C(O)c1ccc(NN)nc1
InChIInChI=1S/C10H15N3O4/c1-17-9(15)4-7(14)10(16)6-2-3-8(13-11)12-5-6/h2-3,5,7,10,14,16H,4,11H2,1H3,(H,12,13)
InChIKeyCLUTXQAIRAJVRZ-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.68
Rot. Bonds5

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

methyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate (PubChem CID 171895400) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is methyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate.

Molecular Properties

Compound Namemethyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate
PubChem CID171895400
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Namemethyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate
SMILESCOC(=O)CC(O)C(O)c1ccc(NN)nc1
InChIInChI=1S/C10H15N3O4/c1-17-9(15)4-7(14)10(16)6-2-3-8(13-11)12-5-6/h2-3,5,7,10,14,16H,4,11H2,1H3,(H,12,13)
InChIKeyCLUTXQAIRAJVRZ-UHFFFAOYSA-N
XLogP-0.68
TPSA117.70 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.68
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

ethyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171897191
methyl 4-(6-ethoxy-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171895710
methyl 4-(2-aminopyrimidin-5-yl)-3,4-dihydroxybutanoate
CID 171895107
methyl 3,4-dihydroxy-4-[6-(trifluoromethyl)-3-pyridinyl]butanoate
CID 171895993
4-amino-1-(6-hydrazinyl-3-pyridinyl)butane-1,2-diol
CID 171881066
methyl 3,4-dihydroxy-4-[2-(trifluoromethyl)pyrimidin-5-yl]butanoate
CID 171895954
ethyl 4-(6-amino-3-pyridinyl)-3,4-dihydroxybutanoate
CID 171896832
methyl 4-[6-amino-5-(hydroxymethyl)-3-pyridinyl]-3,4-dihydroxybutanoate
CID 171895585
benzyl N-[3-(6-hydrazinyl-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171855731
methyl 3,4-dihydroxy-4-(2-oxo-1H-pyrimidin-5-yl)butanoate
CID 171896646
methyl 4-(5-amino-2-pyridinyl)-3,4-dihydroxybutanoate
CID 171895049
methyl 5-(1,2-dihydroxy-4-methoxy-4-oxobutyl)-2-hydroxybenzoate
CID 171896189

Frequently Asked Questions

What is the IUPAC name of methyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate?
The IUPAC name of methyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate (CID 171895400) is methyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate.
What is the SMILES notation for methyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate?
The canonical SMILES for methyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate is COC(=O)CC(O)C(O)c1ccc(NN)nc1.
What is the InChIKey of methyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate?
The InChIKey is CLUTXQAIRAJVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-17-9(15)4-7(14)10(16)6-2-3-8(13-11)12-5-6/h2-3,5,7,10,14,16H,4,11H2,1H3,(H,12,13).
What are the key properties of methyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate?
methyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate has a molecular weight of 241.25 g/mol, XLogP of -0.68, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(6-hydrazinyl-3-pyridinyl)-3,4-dihydroxybutanoate is sourced from PubChem (CID 171895400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).