N-[(5-fluoro-2-pyridinyl)oxy]propan-2-imine

C8H9FN2O — CID 122543863

IUPACN-[(5-fluoro-2-pyridinyl)oxy]propan-2-imine
SMILESCC(C)=NOc1ccc(F)cn1
InChIInChI=1S/C8H9FN2O/c1-6(2)11-12-8-4-3-7(9)5-10-8/h3-5H,1-2H3
InChIKeyFKMNWKBTDAZGFQ-UHFFFAOYSA-N
MW168.17 g/mol
LogP2.00
Rot. Bonds2

About N-[(5-fluoro-2-pyridinyl)oxy]propan-2-imine

N-[(5-fluoro-2-pyridinyl)oxy]propan-2-imine (PubChem CID 122543863) has the molecular formula C8H9FN2O and a molecular weight of 168.17 g/mol. Its IUPAC name is N-[(5-fluoro-2-pyridinyl)oxy]propan-2-imine.

Molecular Properties

Compound NameN-[(5-fluoro-2-pyridinyl)oxy]propan-2-imine
PubChem CID122543863
Molecular FormulaC8H9FN2O
Molecular Weight168.17 g/mol
Exact Mass168.07
IUPAC NameN-[(5-fluoro-2-pyridinyl)oxy]propan-2-imine
SMILESCC(C)=NOc1ccc(F)cn1
InChIInChI=1S/C8H9FN2O/c1-6(2)11-12-8-4-3-7(9)5-10-8/h3-5H,1-2H3
InChIKeyFKMNWKBTDAZGFQ-UHFFFAOYSA-N
XLogP2.00
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.17
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-Methoxypyridine
CID 74201
2-Pyridyl Trifluoromethanesulfonate
CID 3947626
4-Fluoro-2-methoxypyridine
CID 338458
(E)-3-(pyridin-2-ylethynyl)cyclohex-2-enone O-6-fluoropyridin-2-yl oxime
CID 46237427
(E)-3-(pyridin-2-ylethynyl)cyclohex-2-enone O-3-fluoropyridin-2-yl oxime
CID 46237428
(Z)-3-(pyridin-2-ylethynyl)cyclohex-2-enone O-6-fluoropyridin-2-yl oxime
CID 46237429
Pyridine, 2-methoxy-, 1-oxide
CID 140762
Pyridin-2-yl methanesulfonate
CID 269428
5-Fluoro-2-methoxypyridine
CID 2783175
(1e,3e)-1-(6-Methoxypyridin-3-yl)-2-methylpent-1-en-3-one oxime
CID 44194644
Pyridine, 2-[(trimethylsilyl)oxy]-
CID 10975862
Tetrabutylammonium 2-pyridinolate
CID 16656196

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-pyridinyl)oxy]propan-2-imine?
The IUPAC name of N-[(5-fluoro-2-pyridinyl)oxy]propan-2-imine (CID 122543863) is N-[(5-fluoro-2-pyridinyl)oxy]propan-2-imine.
What is the SMILES notation for N-[(5-fluoro-2-pyridinyl)oxy]propan-2-imine?
The canonical SMILES for N-[(5-fluoro-2-pyridinyl)oxy]propan-2-imine is CC(C)=NOc1ccc(F)cn1.
What is the InChIKey of N-[(5-fluoro-2-pyridinyl)oxy]propan-2-imine?
The InChIKey is FKMNWKBTDAZGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN2O/c1-6(2)11-12-8-4-3-7(9)5-10-8/h3-5H,1-2H3.
What are the key properties of N-[(5-fluoro-2-pyridinyl)oxy]propan-2-imine?
N-[(5-fluoro-2-pyridinyl)oxy]propan-2-imine has a molecular weight of 168.17 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-pyridinyl)oxy]propan-2-imine is sourced from PubChem (CID 122543863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).