2-fluoro-6-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile

C11H7F2N5O — CID 80920318

IUPAC2-fluoro-6-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile
SMILESN#Cc1c(F)cccc1Oc1nc(NN)ncc1F
InChIInChI=1S/C11H7F2N5O/c12-7-2-1-3-9(6(7)4-14)19-10-8(13)5-16-11(17-10)18-15/h1-3,5H,15H2,(H,16,17,18)
InChIKeyNIODULIJPWWPHE-UHFFFAOYSA-N
MW263.21 g/mol
LogP1.70
Rot. Bonds3

About 2-fluoro-6-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile

2-fluoro-6-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile (PubChem CID 80920318) has the molecular formula C11H7F2N5O and a molecular weight of 263.21 g/mol. Its IUPAC name is 2-fluoro-6-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile
PubChem CID80920318
Molecular FormulaC11H7F2N5O
Molecular Weight263.21 g/mol
Exact Mass263.06
IUPAC Name2-fluoro-6-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile
SMILESN#Cc1c(F)cccc1Oc1nc(NN)ncc1F
InChIInChI=1S/C11H7F2N5O/c12-7-2-1-3-9(6(7)4-14)19-10-8(13)5-16-11(17-10)18-15/h1-3,5H,15H2,(H,16,17,18)
InChIKeyNIODULIJPWWPHE-UHFFFAOYSA-N
XLogP1.70
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 51.70
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

3-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile
CID 80917818
2-fluoro-6-(6-hydrazinylpyrazin-2-yl)oxybenzonitrile
CID 80921001
[5-fluoro-4-(2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920840
2-[(5-fluoro-2-hydrazinylpyrimidin-4-yl)amino]-6-methylbenzonitrile
CID 107802105
[4-(4-bromo-2-propan-2-ylphenoxy)-5-fluoropyrimidin-2-yl]hydrazine
CID 115403150
2-(5-bromopyrimidin-2-yl)oxy-6-fluorobenzonitrile
CID 63867087
[5-fluoro-4-(2,3,5-trimethylphenoxy)pyrimidin-2-yl]hydrazine
CID 80916575
2-fluoro-6-[[6-(methylamino)-2-pyridinyl]oxy]benzonitrile
CID 80873989
2-(6-amino-5-ethylpyrimidin-4-yl)oxy-6-fluorobenzonitrile
CID 80875483
2-fluoro-6-[(6-fluoro-2-pyridinyl)oxy]benzonitrile
CID 61229937
2-[(5-chloro-2-pyridinyl)oxy]-6-fluorobenzonitrile
CID 66234121
2-[2-amino-6-(methylamino)pyrimidin-4-yl]oxy-6-fluorobenzonitrile
CID 80874760

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile?
The IUPAC name of 2-fluoro-6-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile (CID 80920318) is 2-fluoro-6-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile.
What is the SMILES notation for 2-fluoro-6-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile?
The canonical SMILES for 2-fluoro-6-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile is N#Cc1c(F)cccc1Oc1nc(NN)ncc1F.
What is the InChIKey of 2-fluoro-6-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile?
The InChIKey is NIODULIJPWWPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2N5O/c12-7-2-1-3-9(6(7)4-14)19-10-8(13)5-16-11(17-10)18-15/h1-3,5H,15H2,(H,16,17,18).
What are the key properties of 2-fluoro-6-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile?
2-fluoro-6-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile has a molecular weight of 263.21 g/mol, XLogP of 1.70, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-(5-fluoro-2-hydrazinylpyrimidin-4-yl)oxybenzonitrile is sourced from PubChem (CID 80920318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).