2-(5-fluoroquinolin-8-yl)oxyacetonitrile

C11H7FN2O — CID 71319995

IUPAC2-(5-fluoroquinolin-8-yl)oxyacetonitrile
SMILESN#CCOc1ccc(F)c2cccnc12
InChIInChI=1S/C11H7FN2O/c12-9-3-4-10(15-7-5-13)11-8(9)2-1-6-14-11/h1-4,6H,7H2
InChIKeyLKYAPJMJUMCELD-UHFFFAOYSA-N
MW202.19 g/mol
LogP2.28
Rot. Bonds2

About 2-(5-fluoroquinolin-8-yl)oxyacetonitrile

2-(5-fluoroquinolin-8-yl)oxyacetonitrile (PubChem CID 71319995) has the molecular formula C11H7FN2O and a molecular weight of 202.19 g/mol. Its IUPAC name is 2-(5-fluoroquinolin-8-yl)oxyacetonitrile.

Molecular Properties

Compound Name2-(5-fluoroquinolin-8-yl)oxyacetonitrile
PubChem CID71319995
Molecular FormulaC11H7FN2O
Molecular Weight202.19 g/mol
Exact Mass202.05
IUPAC Name2-(5-fluoroquinolin-8-yl)oxyacetonitrile
SMILESN#CCOc1ccc(F)c2cccnc12
InChIInChI=1S/C11H7FN2O/c12-9-3-4-10(15-7-5-13)11-8(9)2-1-6-14-11/h1-4,6H,7H2
InChIKeyLKYAPJMJUMCELD-UHFFFAOYSA-N
XLogP2.28
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-iodoquinolin-8-yl)oxyacetonitrile
CID 71320001
2-(5-methylquinolin-8-yl)oxyacetonitrile
CID 71319987
2-(4-methylquinolin-8-yl)oxyacetonitrile
CID 71319986
8-chloro-5-fluoroquinoline
CID 53435993
(2R)-2-[(5-fluoroquinolin-8-yl)oxymethyl]morpholine
CID 54428524
2-(8-ethylquinolin-4-yl)oxyacetonitrile
CID 54772736
4-[2-(5-chloroquinolin-8-yl)oxyethoxy]benzonitrile
CID 2216428
3-(5-fluoroquinolin-8-yl)oxycyclobutane-1-carboxylic acid
CID 134430194
2-naphthalen-1-yloxyacetonitrile
CID 4123375
2-(4-bromo-2-fluorophenoxy)acetonitrile
CID 43084322
5-fluoro-8-[6-(2-methoxyphenyl)pyridazin-3-yl]quinoline
CID 77084424
3-[(5-aminoquinolin-8-yl)oxymethyl]pyridine-2-carbonitrile
CID 62890135

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoroquinolin-8-yl)oxyacetonitrile?
The IUPAC name of 2-(5-fluoroquinolin-8-yl)oxyacetonitrile (CID 71319995) is 2-(5-fluoroquinolin-8-yl)oxyacetonitrile.
What is the SMILES notation for 2-(5-fluoroquinolin-8-yl)oxyacetonitrile?
The canonical SMILES for 2-(5-fluoroquinolin-8-yl)oxyacetonitrile is N#CCOc1ccc(F)c2cccnc12.
What is the InChIKey of 2-(5-fluoroquinolin-8-yl)oxyacetonitrile?
The InChIKey is LKYAPJMJUMCELD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O/c12-9-3-4-10(15-7-5-13)11-8(9)2-1-6-14-11/h1-4,6H,7H2.
What are the key properties of 2-(5-fluoroquinolin-8-yl)oxyacetonitrile?
2-(5-fluoroquinolin-8-yl)oxyacetonitrile has a molecular weight of 202.19 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoroquinolin-8-yl)oxyacetonitrile is sourced from PubChem (CID 71319995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).