5-fluoro-4-hydrazinyl-2-(4-methoxyphenoxy)benzonitrile

C14H12FN3O2 — CID 125469383

IUPAC5-fluoro-4-hydrazinyl-2-(4-methoxyphenoxy)benzonitrile
SMILESCOc1ccc(Oc2cc(NN)c(F)cc2C#N)cc1
InChIInChI=1S/C14H12FN3O2/c1-19-10-2-4-11(5-3-10)20-14-7-13(18-17)12(15)6-9(14)8-16/h2-7,18H,17H2,1H3
InChIKeyMDFXKZZVVXBOBB-UHFFFAOYSA-N
MW273.27 g/mol
LogP2.78
Rot. Bonds4

About 5-fluoro-4-hydrazinyl-2-(4-methoxyphenoxy)benzonitrile

5-fluoro-4-hydrazinyl-2-(4-methoxyphenoxy)benzonitrile (PubChem CID 125469383) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is 5-fluoro-4-hydrazinyl-2-(4-methoxyphenoxy)benzonitrile.

Molecular Properties

Compound Name5-fluoro-4-hydrazinyl-2-(4-methoxyphenoxy)benzonitrile
PubChem CID125469383
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC Name5-fluoro-4-hydrazinyl-2-(4-methoxyphenoxy)benzonitrile
SMILESCOc1ccc(Oc2cc(NN)c(F)cc2C#N)cc1
InChIInChI=1S/C14H12FN3O2/c1-19-10-2-4-11(5-3-10)20-14-7-13(18-17)12(15)6-9(14)8-16/h2-7,18H,17H2,1H3
InChIKeyMDFXKZZVVXBOBB-UHFFFAOYSA-N
XLogP2.78
TPSA80.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 5-fluoro-4-hydrazinyl-2-(4-methoxyphenoxy)benzonitrile?
The IUPAC name of 5-fluoro-4-hydrazinyl-2-(4-methoxyphenoxy)benzonitrile (CID 125469383) is 5-fluoro-4-hydrazinyl-2-(4-methoxyphenoxy)benzonitrile.
What is the SMILES notation for 5-fluoro-4-hydrazinyl-2-(4-methoxyphenoxy)benzonitrile?
The canonical SMILES for 5-fluoro-4-hydrazinyl-2-(4-methoxyphenoxy)benzonitrile is COc1ccc(Oc2cc(NN)c(F)cc2C#N)cc1.
What is the InChIKey of 5-fluoro-4-hydrazinyl-2-(4-methoxyphenoxy)benzonitrile?
The InChIKey is MDFXKZZVVXBOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN3O2/c1-19-10-2-4-11(5-3-10)20-14-7-13(18-17)12(15)6-9(14)8-16/h2-7,18H,17H2,1H3.
What are the key properties of 5-fluoro-4-hydrazinyl-2-(4-methoxyphenoxy)benzonitrile?
5-fluoro-4-hydrazinyl-2-(4-methoxyphenoxy)benzonitrile has a molecular weight of 273.27 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-hydrazinyl-2-(4-methoxyphenoxy)benzonitrile is sourced from PubChem (CID 125469383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).