2-fluoro-6-(6-hydrazinylpyrazin-2-yl)oxybenzonitrile

C11H8FN5O — CID 80921001

IUPAC2-fluoro-6-(6-hydrazinylpyrazin-2-yl)oxybenzonitrile
SMILESN#Cc1c(F)cccc1Oc1cncc(NN)n1
InChIInChI=1S/C11H8FN5O/c12-8-2-1-3-9(7(8)4-13)18-11-6-15-5-10(16-11)17-14/h1-3,5-6H,14H2,(H,16,17)
InChIKeyQAJICZDPAFXUIC-UHFFFAOYSA-N
MW245.22 g/mol
LogP1.57
Rot. Bonds3

About 2-fluoro-6-(6-hydrazinylpyrazin-2-yl)oxybenzonitrile

2-fluoro-6-(6-hydrazinylpyrazin-2-yl)oxybenzonitrile (PubChem CID 80921001) has the molecular formula C11H8FN5O and a molecular weight of 245.22 g/mol. Its IUPAC name is 2-fluoro-6-(6-hydrazinylpyrazin-2-yl)oxybenzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(6-hydrazinylpyrazin-2-yl)oxybenzonitrile
PubChem CID80921001
Molecular FormulaC11H8FN5O
Molecular Weight245.22 g/mol
Exact Mass245.07
IUPAC Name2-fluoro-6-(6-hydrazinylpyrazin-2-yl)oxybenzonitrile
SMILESN#Cc1c(F)cccc1Oc1cncc(NN)n1
InChIInChI=1S/C11H8FN5O/c12-8-2-1-3-9(7(8)4-13)18-11-6-15-5-10(16-11)17-14/h1-3,5-6H,14H2,(H,16,17)
InChIKeyQAJICZDPAFXUIC-UHFFFAOYSA-N
XLogP1.57
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.22
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

5-[3-(Trifluoromethyl)phenoxy]pyrazin-2-amine
CID 80664179
5-(4-Fluorophenoxy)pyrazin-2-amine
CID 80664285
5-(3-Fluorophenoxy)pyrazin-2-amine
CID 80664750
[3-[(3-Fluorophenyl)methoxy]pyrazin-2-yl]hydrazine
CID 121273217
5-[3-(Trifluoromethyl)phenoxy]pyrazine-2,3-diamine
CID 129032475
5-[4-(Trifluoromethyl)phenoxy]pyrazine-2,3-diamine
CID 129032545
2-(4-Fluorophenoxy)-3-hydrazinylpyrazine
CID 51358653
6-(2-Fluoro-5-methylphenoxy)pyrazin-2-amine
CID 80646794
6-[4-(Trifluoromethyl)phenoxy]pyrazin-2-amine
CID 80647356
6-(2-Fluorophenoxy)pyrazin-2-amine
CID 80647360
4-(6-Aminopyrazin-2-yl)oxy-2-fluorobenzonitrile
CID 80647371
6-[2-(Trifluoromethyl)phenoxy]pyrazin-2-amine
CID 80647475

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(6-hydrazinylpyrazin-2-yl)oxybenzonitrile?
The IUPAC name of 2-fluoro-6-(6-hydrazinylpyrazin-2-yl)oxybenzonitrile (CID 80921001) is 2-fluoro-6-(6-hydrazinylpyrazin-2-yl)oxybenzonitrile.
What is the SMILES notation for 2-fluoro-6-(6-hydrazinylpyrazin-2-yl)oxybenzonitrile?
The canonical SMILES for 2-fluoro-6-(6-hydrazinylpyrazin-2-yl)oxybenzonitrile is N#Cc1c(F)cccc1Oc1cncc(NN)n1.
What is the InChIKey of 2-fluoro-6-(6-hydrazinylpyrazin-2-yl)oxybenzonitrile?
The InChIKey is QAJICZDPAFXUIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN5O/c12-8-2-1-3-9(7(8)4-13)18-11-6-15-5-10(16-11)17-14/h1-3,5-6H,14H2,(H,16,17).
What are the key properties of 2-fluoro-6-(6-hydrazinylpyrazin-2-yl)oxybenzonitrile?
2-fluoro-6-(6-hydrazinylpyrazin-2-yl)oxybenzonitrile has a molecular weight of 245.22 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(6-hydrazinylpyrazin-2-yl)oxybenzonitrile is sourced from PubChem (CID 80921001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).