3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile

C11H8FN5O — CID 80917818

IUPAC3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile
SMILESN#Cc1cccc(Oc2nc(NN)ncc2F)c1
InChIInChI=1S/C11H8FN5O/c12-9-6-15-11(17-14)16-10(9)18-8-3-1-2-7(4-8)5-13/h1-4,6H,14H2,(H,15,16,17)
InChIKeyDGEHIAWJPGUHBK-UHFFFAOYSA-N
MW245.22 g/mol
LogP1.57
Rot. Bonds3

About 3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile

3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile (PubChem CID 80917818) has the molecular formula C11H8FN5O and a molecular weight of 245.22 g/mol. Its IUPAC name is 3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile.

Molecular Properties

Compound Name3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile
PubChem CID80917818
Molecular FormulaC11H8FN5O
Molecular Weight245.22 g/mol
Exact Mass245.07
IUPAC Name3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile
SMILESN#Cc1cccc(Oc2nc(NN)ncc2F)c1
InChIInChI=1S/C11H8FN5O/c12-9-6-15-11(17-14)16-10(9)18-8-3-1-2-7(4-8)5-13/h1-4,6H,14H2,(H,15,16,17)
InChIKeyDGEHIAWJPGUHBK-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-fluoro-6-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile
CID 80920318
3-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile
CID 103336137
3-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)oxybenzonitrile
CID 103336136
3-[(3,5,6-trifluoro-4-methyl-2-pyridinyl)oxy](13C,15N)benzonitrile
CID 10611771
3-(2-amino-5-bromopyrimidin-4-yl)oxybenzonitrile
CID 80863504
3-(2-hydrazinyl-5-methylpyrimidin-4-yl)oxy-4-methylbenzonitrile
CID 107662868
3-(5-chloro-2-hydrazinylpyrimidin-4-yl)oxy-5-methoxybenzonitrile
CID 103568494
3-[2-(ethylamino)-5-fluoropyrimidin-4-yl]oxy-4-methylbenzonitrile
CID 107662559
[5-chloro-4-(3-methoxyphenoxy)pyrimidin-2-yl]hydrazine
CID 80914939
[5-fluoro-4-[4-(2-methylbutan-2-yl)phenoxy]pyrimidin-2-yl]hydrazine
CID 80910662
2-(3-cyanophenoxy)pyridine-3-carbonitrile
CID 24692068
3-[(3-hydroxy-2-pyridinyl)oxy]benzonitrile
CID 23506220

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile?
The IUPAC name of 3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile (CID 80917818) is 3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile.
What is the SMILES notation for 3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile?
The canonical SMILES for 3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile is N#Cc1cccc(Oc2nc(NN)ncc2F)c1.
What is the InChIKey of 3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile?
The InChIKey is DGEHIAWJPGUHBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FN5O/c12-9-6-15-11(17-14)16-10(9)18-8-3-1-2-7(4-8)5-13/h1-4,6H,14H2,(H,15,16,17).
What are the key properties of 3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile?
3-(5-fluoro-2-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-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile is sourced from PubChem (CID 80917818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).