1-ethyl-5-fluoro-6-oxopyridine-2-carbonitrile

C8H7FN2O — CID 171835877

IUPAC1-ethyl-5-fluoro-6-oxopyridine-2-carbonitrile
SMILESCCn1c(C#N)ccc(F)c1=O
InChIInChI=1S/C8H7FN2O/c1-2-11-6(5-10)3-4-7(9)8(11)12/h3-4H,2H2,1H3
InChIKeyZDNCHGMDKFSGHK-UHFFFAOYSA-N
MW166.16 g/mol
LogP0.88
Rot. Bonds1

About 1-ethyl-5-fluoro-6-oxopyridine-2-carbonitrile

1-ethyl-5-fluoro-6-oxopyridine-2-carbonitrile (PubChem CID 171835877) has the molecular formula C8H7FN2O and a molecular weight of 166.16 g/mol. Its IUPAC name is 1-ethyl-5-fluoro-6-oxopyridine-2-carbonitrile.

Molecular Properties

Compound Name1-ethyl-5-fluoro-6-oxopyridine-2-carbonitrile
PubChem CID171835877
Molecular FormulaC8H7FN2O
Molecular Weight166.16 g/mol
Exact Mass166.05
IUPAC Name1-ethyl-5-fluoro-6-oxopyridine-2-carbonitrile
SMILESCCn1c(C#N)ccc(F)c1=O
InChIInChI=1S/C8H7FN2O/c1-2-11-6(5-10)3-4-7(9)8(11)12/h3-4H,2H2,1H3
InChIKeyZDNCHGMDKFSGHK-UHFFFAOYSA-N
XLogP0.88
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.16
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-5-fluoro-6-oxopyridine-2-carbonitrile?
The IUPAC name of 1-ethyl-5-fluoro-6-oxopyridine-2-carbonitrile (CID 171835877) is 1-ethyl-5-fluoro-6-oxopyridine-2-carbonitrile.
What is the SMILES notation for 1-ethyl-5-fluoro-6-oxopyridine-2-carbonitrile?
The canonical SMILES for 1-ethyl-5-fluoro-6-oxopyridine-2-carbonitrile is CCn1c(C#N)ccc(F)c1=O.
What is the InChIKey of 1-ethyl-5-fluoro-6-oxopyridine-2-carbonitrile?
The InChIKey is ZDNCHGMDKFSGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O/c1-2-11-6(5-10)3-4-7(9)8(11)12/h3-4H,2H2,1H3.
What are the key properties of 1-ethyl-5-fluoro-6-oxopyridine-2-carbonitrile?
1-ethyl-5-fluoro-6-oxopyridine-2-carbonitrile has a molecular weight of 166.16 g/mol, XLogP of 0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-5-fluoro-6-oxopyridine-2-carbonitrile is sourced from PubChem (CID 171835877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).