(2Z)-2-hydrazinylidene-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]ethanimine

C13H19BN4O2 — CID 145471004

About (2Z)-2-hydrazinylidene-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]ethanimine

(2Z)-2-hydrazinylidene-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]ethanimine (PubChem CID 145471004) has the molecular formula C13H19BN4O2 and a molecular weight of 274.13 g/mol. Its IUPAC name is (2Z)-2-hydrazinylidene-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]ethanimine.

Molecular Properties

• Compound Name: (2Z)-2-hydrazinylidene-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]ethanimine
• PubChem CID: 145471004
• Molecular Formula: C13H19BN4O2
• Molecular Weight: 274.13 g/mol
• Exact Mass: 274.16
• IUPAC Name: (2Z)-2-hydrazinylidene-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]ethanimine
• SMILES: CC1(C)OB(c2ccc(/N=C/C=N\N)nc2)OC1(C)C
• InChI: InChI=1S/C13H19BN4O2/c1-12(2)13(3,4)20-14(19-12)10-5-6-11(17-9-10)16-7-8-18-15/h5-9H,15H2,1-4H3/b16-7+,18-8-
• InChIKey: FSYAKYQAWFTNBS-ZDFVMKTNSA-N
• XLogP: 1.03
• TPSA: 82.09 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	274.13
LogP ≤ 5	1.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', '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'}

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-hydrazinylidene-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]ethanimine?

The IUPAC name of (2Z)-2-hydrazinylidene-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]ethanimine (CID 145471004) is (2Z)-2-hydrazinylidene-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]ethanimine.

What is the SMILES notation for (2Z)-2-hydrazinylidene-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]ethanimine?

The canonical SMILES for (2Z)-2-hydrazinylidene-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]ethanimine is CC1(C)OB(c2ccc(/N=C/C=N\N)nc2)OC1(C)C.

What is the InChIKey of (2Z)-2-hydrazinylidene-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]ethanimine?

The InChIKey is FSYAKYQAWFTNBS-ZDFVMKTNSA-N. The full InChI is InChI=1S/C13H19BN4O2/c1-12(2)13(3,4)20-14(19-12)10-5-6-11(17-9-10)16-7-8-18-15/h5-9H,15H2,1-4H3/b16-7+,18-8-.

What are the key properties of (2Z)-2-hydrazinylidene-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]ethanimine?

(2Z)-2-hydrazinylidene-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]ethanimine has a molecular weight of 274.13 g/mol, XLogP of 1.03, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z)-2-hydrazinylidene-N-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-pyridinyl]ethanimine is sourced from PubChem (CID 145471004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).