3-hydrazinyl-5-methoxybenzonitrile;hydrochloride

C8H10ClN3O — CID 175008309

IUPAC3-hydrazinyl-5-methoxybenzonitrile;hydrochloride
SMILESCOc1cc(C#N)cc(NN)c1.Cl
InChIInChI=1S/C8H9N3O.ClH/c1-12-8-3-6(5-9)2-7(4-8)11-10;/h2-4,11H,10H2,1H3;1H
InChIKeyWTKDFELXZGMYEI-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.27
Rot. Bonds2

About 3-hydrazinyl-5-methoxybenzonitrile;hydrochloride

3-hydrazinyl-5-methoxybenzonitrile;hydrochloride (PubChem CID 175008309) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is 3-hydrazinyl-5-methoxybenzonitrile;hydrochloride.

Molecular Properties

Compound Name3-hydrazinyl-5-methoxybenzonitrile;hydrochloride
PubChem CID175008309
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name3-hydrazinyl-5-methoxybenzonitrile;hydrochloride
SMILESCOc1cc(C#N)cc(NN)c1.Cl
InChIInChI=1S/C8H9N3O.ClH/c1-12-8-3-6(5-9)2-7(4-8)11-10;/h2-4,11H,10H2,1H3;1H
InChIKeyWTKDFELXZGMYEI-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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Related Compounds

(3-fluoro-5-methoxyphenyl)hydrazine;hydrochloride
CID 71756043
3-(3-amino-5-methoxyphenoxy)-5-methoxybenzonitrile
CID 103566372
2-chloro-6-(3,5-dimethoxyanilino)pyridine-4-carbonitrile
CID 83072934
3-(4-amino-3-methoxyphenoxy)-5-methoxybenzonitrile
CID 103566398
4-[1-(3,5-dimethoxyanilino)ethyl]benzonitrile
CID 43192810
[3-(bromomethyl)-5-methoxyphenyl]hydrazine
CID 130837760
3-(difluoromethyl)-5-methoxybenzonitrile
CID 68719258
3-(5-chloro-2-hydrazinylpyrimidin-4-yl)oxy-5-methoxybenzonitrile
CID 103568494
3-methoxy-5-[3-(methylamino)propoxy]benzonitrile
CID 103568078
4-(3-cyano-5-methoxyphenoxy)-2-methylbenzonitrile
CID 103566752
3-methoxy-5-(2-methylpropoxy)benzonitrile
CID 103566832
3-(2-cyanoethoxy)-5-methoxybenzonitrile
CID 103566780

Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-5-methoxybenzonitrile;hydrochloride?
The IUPAC name of 3-hydrazinyl-5-methoxybenzonitrile;hydrochloride (CID 175008309) is 3-hydrazinyl-5-methoxybenzonitrile;hydrochloride.
What is the SMILES notation for 3-hydrazinyl-5-methoxybenzonitrile;hydrochloride?
The canonical SMILES for 3-hydrazinyl-5-methoxybenzonitrile;hydrochloride is COc1cc(C#N)cc(NN)c1.Cl.
What is the InChIKey of 3-hydrazinyl-5-methoxybenzonitrile;hydrochloride?
The InChIKey is WTKDFELXZGMYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O.ClH/c1-12-8-3-6(5-9)2-7(4-8)11-10;/h2-4,11H,10H2,1H3;1H.
What are the key properties of 3-hydrazinyl-5-methoxybenzonitrile;hydrochloride?
3-hydrazinyl-5-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 3-hydrazinyl-5-methoxybenzonitrile;hydrochloride is sourced from PubChem (CID 175008309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).