5-(5-fluoro-2-oxo-1-pyridinyl)-2,2-dimethylpentanenitrile

C12H15FN2O — CID 99791418

IUPAC5-(5-fluoro-2-oxo-1-pyridinyl)-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCn1cc(F)ccc1=O
InChIInChI=1S/C12H15FN2O/c1-12(2,9-14)6-3-7-15-8-10(13)4-5-11(15)16/h4-5,8H,3,6-7H2,1-2H3
InChIKeyYFNBLTDNZXWOBU-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.32
Rot. Bonds4

About 5-(5-fluoro-2-oxo-1-pyridinyl)-2,2-dimethylpentanenitrile

5-(5-fluoro-2-oxo-1-pyridinyl)-2,2-dimethylpentanenitrile (PubChem CID 99791418) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 5-(5-fluoro-2-oxo-1-pyridinyl)-2,2-dimethylpentanenitrile.

Molecular Properties

Compound Name5-(5-fluoro-2-oxo-1-pyridinyl)-2,2-dimethylpentanenitrile
PubChem CID99791418
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name5-(5-fluoro-2-oxo-1-pyridinyl)-2,2-dimethylpentanenitrile
SMILESCC(C)(C#N)CCCn1cc(F)ccc1=O
InChIInChI=1S/C12H15FN2O/c1-12(2,9-14)6-3-7-15-8-10(13)4-5-11(15)16/h4-5,8H,3,6-7H2,1-2H3
InChIKeyYFNBLTDNZXWOBU-UHFFFAOYSA-N
XLogP2.32
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-oxo-1-pyridinyl)-2,2-dimethylpentanenitrile?
The IUPAC name of 5-(5-fluoro-2-oxo-1-pyridinyl)-2,2-dimethylpentanenitrile (CID 99791418) is 5-(5-fluoro-2-oxo-1-pyridinyl)-2,2-dimethylpentanenitrile.
What is the SMILES notation for 5-(5-fluoro-2-oxo-1-pyridinyl)-2,2-dimethylpentanenitrile?
The canonical SMILES for 5-(5-fluoro-2-oxo-1-pyridinyl)-2,2-dimethylpentanenitrile is CC(C)(C#N)CCCn1cc(F)ccc1=O.
What is the InChIKey of 5-(5-fluoro-2-oxo-1-pyridinyl)-2,2-dimethylpentanenitrile?
The InChIKey is YFNBLTDNZXWOBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-12(2,9-14)6-3-7-15-8-10(13)4-5-11(15)16/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 5-(5-fluoro-2-oxo-1-pyridinyl)-2,2-dimethylpentanenitrile?
5-(5-fluoro-2-oxo-1-pyridinyl)-2,2-dimethylpentanenitrile has a molecular weight of 222.26 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-oxo-1-pyridinyl)-2,2-dimethylpentanenitrile is sourced from PubChem (CID 99791418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).