2-(3-fluoro-2-oxo-1-pyridinyl)acetonitrile

C7H5FN2O — CID 14836992

IUPAC2-(3-fluoro-2-oxo-1-pyridinyl)acetonitrile
SMILESN#CCn1cccc(F)c1=O
InChIInChI=1S/C7H5FN2O/c8-6-2-1-4-10(5-3-9)7(6)11/h1-2,4H,5H2
InChIKeyWNOZBXICYHOFMA-UHFFFAOYSA-N
MW152.13 g/mol
LogP0.51
Rot. Bonds1

About 2-(3-fluoro-2-oxo-1-pyridinyl)acetonitrile

2-(3-fluoro-2-oxo-1-pyridinyl)acetonitrile (PubChem CID 14836992) has the molecular formula C7H5FN2O and a molecular weight of 152.13 g/mol. Its IUPAC name is 2-(3-fluoro-2-oxo-1-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(3-fluoro-2-oxo-1-pyridinyl)acetonitrile
PubChem CID14836992
Molecular FormulaC7H5FN2O
Molecular Weight152.13 g/mol
Exact Mass152.04
IUPAC Name2-(3-fluoro-2-oxo-1-pyridinyl)acetonitrile
SMILESN#CCn1cccc(F)c1=O
InChIInChI=1S/C7H5FN2O/c8-6-2-1-4-10(5-3-9)7(6)11/h1-2,4H,5H2
InChIKeyWNOZBXICYHOFMA-UHFFFAOYSA-N
XLogP0.51
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.13
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-2-oxo-1-pyridinyl)acetonitrile?
The IUPAC name of 2-(3-fluoro-2-oxo-1-pyridinyl)acetonitrile (CID 14836992) is 2-(3-fluoro-2-oxo-1-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(3-fluoro-2-oxo-1-pyridinyl)acetonitrile?
The canonical SMILES for 2-(3-fluoro-2-oxo-1-pyridinyl)acetonitrile is N#CCn1cccc(F)c1=O.
What is the InChIKey of 2-(3-fluoro-2-oxo-1-pyridinyl)acetonitrile?
The InChIKey is WNOZBXICYHOFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2O/c8-6-2-1-4-10(5-3-9)7(6)11/h1-2,4H,5H2.
What are the key properties of 2-(3-fluoro-2-oxo-1-pyridinyl)acetonitrile?
2-(3-fluoro-2-oxo-1-pyridinyl)acetonitrile has a molecular weight of 152.13 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-2-oxo-1-pyridinyl)acetonitrile is sourced from PubChem (CID 14836992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).