4-hydrazinyl-2-methoxybenzonitrile;hydrochloride

C8H10ClN3O — CID 46915038

IUPAC4-hydrazinyl-2-methoxybenzonitrile;hydrochloride
SMILESCOc1cc(NN)ccc1C#N.Cl
InChIInChI=1S/C8H9N3O.ClH/c1-12-8-4-7(11-10)3-2-6(8)5-9;/h2-4,11H,10H2,1H3;1H
InChIKeyQINTUOXHOONRDA-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.27
Rot. Bonds2

About 4-hydrazinyl-2-methoxybenzonitrile;hydrochloride

4-hydrazinyl-2-methoxybenzonitrile;hydrochloride (PubChem CID 46915038) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is 4-hydrazinyl-2-methoxybenzonitrile;hydrochloride.

Molecular Properties

Compound Name4-hydrazinyl-2-methoxybenzonitrile;hydrochloride
PubChem CID46915038
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name4-hydrazinyl-2-methoxybenzonitrile;hydrochloride
SMILESCOc1cc(NN)ccc1C#N.Cl
InChIInChI=1S/C8H9N3O.ClH/c1-12-8-4-7(11-10)3-2-6(8)5-9;/h2-4,11H,10H2,1H3;1H
InChIKeyQINTUOXHOONRDA-UHFFFAOYSA-N
XLogP1.27
TPSA71.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-hydrazinyl-2-methoxybenzonitrile;hydrochloride?
The IUPAC name of 4-hydrazinyl-2-methoxybenzonitrile;hydrochloride (CID 46915038) is 4-hydrazinyl-2-methoxybenzonitrile;hydrochloride.
What is the SMILES notation for 4-hydrazinyl-2-methoxybenzonitrile;hydrochloride?
The canonical SMILES for 4-hydrazinyl-2-methoxybenzonitrile;hydrochloride is COc1cc(NN)ccc1C#N.Cl.
What is the InChIKey of 4-hydrazinyl-2-methoxybenzonitrile;hydrochloride?
The InChIKey is QINTUOXHOONRDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O.ClH/c1-12-8-4-7(11-10)3-2-6(8)5-9;/h2-4,11H,10H2,1H3;1H.
What are the key properties of 4-hydrazinyl-2-methoxybenzonitrile;hydrochloride?
4-hydrazinyl-2-methoxybenzonitrile;hydrochloride has a molecular weight of 199.64 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydrazinyl-2-methoxybenzonitrile;hydrochloride is sourced from PubChem (CID 46915038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).