[3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]hydrazine

C11H17BN4O4 — CID 75487116

IUPAC[3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]hydrazine
SMILESCC1(C)OB(c2cnc(NN)c([N+](=O)[O-])c2)OC1(C)C
InChIInChI=1S/C11H17BN4O4/c1-10(2)11(3,4)20-12(19-10)7-5-8(16(17)18)9(15-13)14-6-7/h5-6H,13H2,1-4H3,(H,14,15)
InChIKeyFLQMHWKMKCVGNA-UHFFFAOYSA-N
MW280.09 g/mol
LogP0.57
Rot. Bonds3

About [3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]hydrazine

[3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]hydrazine (PubChem CID 75487116) has the molecular formula C11H17BN4O4 and a molecular weight of 280.09 g/mol. Its IUPAC name is [3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]hydrazine
PubChem CID75487116
Molecular FormulaC11H17BN4O4
Molecular Weight280.09 g/mol
Exact Mass280.13
IUPAC Name[3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]hydrazine
SMILESCC1(C)OB(c2cnc(NN)c([N+](=O)[O-])c2)OC1(C)C
InChIInChI=1S/C11H17BN4O4/c1-10(2)11(3,4)20-12(19-10)7-5-8(16(17)18)9(15-13)14-6-7/h5-6H,13H2,1-4H3,(H,14,15)
InChIKeyFLQMHWKMKCVGNA-UHFFFAOYSA-N
XLogP0.57
TPSA112.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.09
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]hydrazine?
The IUPAC name of [3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]hydrazine (CID 75487116) is [3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]hydrazine.
What is the SMILES notation for [3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]hydrazine?
The canonical SMILES for [3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]hydrazine is CC1(C)OB(c2cnc(NN)c([N+](=O)[O-])c2)OC1(C)C.
What is the InChIKey of [3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]hydrazine?
The InChIKey is FLQMHWKMKCVGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BN4O4/c1-10(2)11(3,4)20-12(19-10)7-5-8(16(17)18)9(15-13)14-6-7/h5-6H,13H2,1-4H3,(H,14,15).
What are the key properties of [3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]hydrazine?
[3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]hydrazine has a molecular weight of 280.09 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-nitro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]hydrazine is sourced from PubChem (CID 75487116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).