2-(8-fluoro-4-oxoquinolin-1-yl)acetonitrile

C11H7FN2O — CID 43839869

IUPAC2-(8-fluoro-4-oxoquinolin-1-yl)acetonitrile
SMILESN#CCn1ccc(=O)c2cccc(F)c21
InChIInChI=1S/C11H7FN2O/c12-9-3-1-2-8-10(15)4-6-14(7-5-13)11(8)9/h1-4,6H,7H2
InChIKeyNWSVQZDZHOIVBE-UHFFFAOYSA-N
MW202.19 g/mol
LogP1.66
Rot. Bonds1

About 2-(8-fluoro-4-oxoquinolin-1-yl)acetonitrile

2-(8-fluoro-4-oxoquinolin-1-yl)acetonitrile (PubChem CID 43839869) has the molecular formula C11H7FN2O and a molecular weight of 202.19 g/mol. Its IUPAC name is 2-(8-fluoro-4-oxoquinolin-1-yl)acetonitrile.

Molecular Properties

Compound Name2-(8-fluoro-4-oxoquinolin-1-yl)acetonitrile
PubChem CID43839869
Molecular FormulaC11H7FN2O
Molecular Weight202.19 g/mol
Exact Mass202.05
IUPAC Name2-(8-fluoro-4-oxoquinolin-1-yl)acetonitrile
SMILESN#CCn1ccc(=O)c2cccc(F)c21
InChIInChI=1S/C11H7FN2O/c12-9-3-1-2-8-10(15)4-6-14(7-5-13)11(8)9/h1-4,6H,7H2
InChIKeyNWSVQZDZHOIVBE-UHFFFAOYSA-N
XLogP1.66
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-4-oxoquinolin-1-yl)acetonitrile?
The IUPAC name of 2-(8-fluoro-4-oxoquinolin-1-yl)acetonitrile (CID 43839869) is 2-(8-fluoro-4-oxoquinolin-1-yl)acetonitrile.
What is the SMILES notation for 2-(8-fluoro-4-oxoquinolin-1-yl)acetonitrile?
The canonical SMILES for 2-(8-fluoro-4-oxoquinolin-1-yl)acetonitrile is N#CCn1ccc(=O)c2cccc(F)c21.
What is the InChIKey of 2-(8-fluoro-4-oxoquinolin-1-yl)acetonitrile?
The InChIKey is NWSVQZDZHOIVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O/c12-9-3-1-2-8-10(15)4-6-14(7-5-13)11(8)9/h1-4,6H,7H2.
What are the key properties of 2-(8-fluoro-4-oxoquinolin-1-yl)acetonitrile?
2-(8-fluoro-4-oxoquinolin-1-yl)acetonitrile has a molecular weight of 202.19 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-4-oxoquinolin-1-yl)acetonitrile is sourced from PubChem (CID 43839869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).