3-fluoro-4-(6-hydrazinylpyrimidin-4-yl)oxybenzonitrile

C11H8FN5O — CID 107669861

IUPAC3-fluoro-4-(6-hydrazinylpyrimidin-4-yl)oxybenzonitrile
SMILESN#Cc1ccc(Oc2cc(NN)ncn2)c(F)c1
InChIInChI=1S/C11H8FN5O/c12-8-3-7(5-13)1-2-9(8)18-11-4-10(17-14)15-6-16-11/h1-4,6H,14H2,(H,15,16,17)
InChIKeyPJEJAAYJXCOJDT-UHFFFAOYSA-N
MW245.22 g/mol
LogP1.57
Rot. Bonds3

About 3-fluoro-4-(6-hydrazinylpyrimidin-4-yl)oxybenzonitrile

3-fluoro-4-(6-hydrazinylpyrimidin-4-yl)oxybenzonitrile (PubChem CID 107669861) has the molecular formula C11H8FN5O and a molecular weight of 245.22 g/mol. Its IUPAC name is 3-fluoro-4-(6-hydrazinylpyrimidin-4-yl)oxybenzonitrile.

Molecular Properties

Compound Name3-fluoro-4-(6-hydrazinylpyrimidin-4-yl)oxybenzonitrile
PubChem CID107669861
Molecular FormulaC11H8FN5O
Molecular Weight245.22 g/mol
Exact Mass245.07
IUPAC Name3-fluoro-4-(6-hydrazinylpyrimidin-4-yl)oxybenzonitrile
SMILESN#Cc1ccc(Oc2cc(NN)ncn2)c(F)c1
InChIInChI=1S/C11H8FN5O/c12-8-3-7(5-13)1-2-9(8)18-11-4-10(17-14)15-6-16-11/h1-4,6H,14H2,(H,15,16,17)
InChIKeyPJEJAAYJXCOJDT-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

2-(4-cyano-2-fluorophenoxy)pyridine-4-carbonitrile
CID 107664811
4-[(5-amino-6-ethoxy-2-pyridinyl)oxy]-3-fluorobenzonitrile
CID 107670102
6-(2,4-difluorophenoxy)-N-methylpyrimidin-4-amine
CID 80862951
[6-(2,5-dichlorophenoxy)pyrimidin-4-yl]hydrazine
CID 80917703
3-fluoro-4-[[5-[1-(methylamino)ethyl]-2-pyridinyl]oxy]benzonitrile
CID 107665502
3-fluoro-4-[5-methyl-6-(methylamino)pyrimidin-4-yl]oxybenzonitrile
CID 107669781
6-(2-fluorophenoxy)pyridine-3-carbonitrile
CID 24698553
3-fluoro-4-[2-methyl-6-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 107669782
3-methoxy-4-[6-(propylamino)pyrimidin-4-yl]oxybenzonitrile
CID 80866910
[6-(4-chloro-3-fluorophenoxy)pyrimidin-4-yl]hydrazine
CID 82719273
4-(4-amino-2,6-difluorophenoxy)-3-fluorobenzonitrile
CID 107670079
[6-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-4-yl]hydrazine
CID 114418608

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(6-hydrazinylpyrimidin-4-yl)oxybenzonitrile?
The IUPAC name of 3-fluoro-4-(6-hydrazinylpyrimidin-4-yl)oxybenzonitrile (CID 107669861) is 3-fluoro-4-(6-hydrazinylpyrimidin-4-yl)oxybenzonitrile.
What is the SMILES notation for 3-fluoro-4-(6-hydrazinylpyrimidin-4-yl)oxybenzonitrile?
The canonical SMILES for 3-fluoro-4-(6-hydrazinylpyrimidin-4-yl)oxybenzonitrile is N#Cc1ccc(Oc2cc(NN)ncn2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(6-hydrazinylpyrimidin-4-yl)oxybenzonitrile?
The InChIKey is PJEJAAYJXCOJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN5O/c12-8-3-7(5-13)1-2-9(8)18-11-4-10(17-14)15-6-16-11/h1-4,6H,14H2,(H,15,16,17).
What are the key properties of 3-fluoro-4-(6-hydrazinylpyrimidin-4-yl)oxybenzonitrile?
3-fluoro-4-(6-hydrazinylpyrimidin-4-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 3-fluoro-4-(6-hydrazinylpyrimidin-4-yl)oxybenzonitrile is sourced from PubChem (CID 107669861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).