(4-hydrazinylcinnolin-6-yl)boronic acid

C8H9BN4O2 — CID 135396824

IUPAC(4-hydrazinylcinnolin-6-yl)boronic acid
SMILESNNc1cnnc2ccc(B(O)O)cc12
InChIInChI=1S/C8H9BN4O2/c10-12-8-4-11-13-7-2-1-5(9(14)15)3-6(7)8/h1-4,14-15H,10H2,(H,12,13)
InChIKeyCZJMECMVSJBMHQ-UHFFFAOYSA-N
MW204.00 g/mol
LogP-1.40
Rot. Bonds2

About (4-hydrazinylcinnolin-6-yl)boronic acid

(4-hydrazinylcinnolin-6-yl)boronic acid (PubChem CID 135396824) has the molecular formula C8H9BN4O2 and a molecular weight of 204.00 g/mol. Its IUPAC name is (4-hydrazinylcinnolin-6-yl)boronic acid.

Molecular Properties

Compound Name(4-hydrazinylcinnolin-6-yl)boronic acid
PubChem CID135396824
Molecular FormulaC8H9BN4O2
Molecular Weight204.00 g/mol
Exact Mass204.08
IUPAC Name(4-hydrazinylcinnolin-6-yl)boronic acid
SMILESNNc1cnnc2ccc(B(O)O)cc12
InChIInChI=1S/C8H9BN4O2/c10-12-8-4-11-13-7-2-1-5(9(14)15)3-6(7)8/h1-4,14-15H,10H2,(H,12,13)
InChIKeyCZJMECMVSJBMHQ-UHFFFAOYSA-N
XLogP-1.40
TPSA104.29 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.00
LogP ≤ 5-1.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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 (4-hydrazinylcinnolin-6-yl)boronic acid?
The IUPAC name of (4-hydrazinylcinnolin-6-yl)boronic acid (CID 135396824) is (4-hydrazinylcinnolin-6-yl)boronic acid.
What is the SMILES notation for (4-hydrazinylcinnolin-6-yl)boronic acid?
The canonical SMILES for (4-hydrazinylcinnolin-6-yl)boronic acid is NNc1cnnc2ccc(B(O)O)cc12.
What is the InChIKey of (4-hydrazinylcinnolin-6-yl)boronic acid?
The InChIKey is CZJMECMVSJBMHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BN4O2/c10-12-8-4-11-13-7-2-1-5(9(14)15)3-6(7)8/h1-4,14-15H,10H2,(H,12,13).
What are the key properties of (4-hydrazinylcinnolin-6-yl)boronic acid?
(4-hydrazinylcinnolin-6-yl)boronic acid has a molecular weight of 204.00 g/mol, XLogP of -1.40, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydrazinylcinnolin-6-yl)boronic acid is sourced from PubChem (CID 135396824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).