3-(2-fluoro-3-methylphenyl)-3-oxo-2-pyridin-3-ylpropanenitrile

C15H11FN2O — CID 81477793

IUPAC3-(2-fluoro-3-methylphenyl)-3-oxo-2-pyridin-3-ylpropanenitrile
SMILESCc1cccc(C(=O)C(C#N)c2cccnc2)c1F
InChIInChI=1S/C15H11FN2O/c1-10-4-2-6-12(14(10)16)15(19)13(8-17)11-5-3-7-18-9-11/h2-7,9,13H,1H3
InChIKeyLGOZQEPXAOYBNY-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.02
Rot. Bonds3

About 3-(2-fluoro-3-methylphenyl)-3-oxo-2-pyridin-3-ylpropanenitrile

3-(2-fluoro-3-methylphenyl)-3-oxo-2-pyridin-3-ylpropanenitrile (PubChem CID 81477793) has the molecular formula C15H11FN2O and a molecular weight of 254.26 g/mol. Its IUPAC name is 3-(2-fluoro-3-methylphenyl)-3-oxo-2-pyridin-3-ylpropanenitrile.

Molecular Properties

Compound Name3-(2-fluoro-3-methylphenyl)-3-oxo-2-pyridin-3-ylpropanenitrile
PubChem CID81477793
Molecular FormulaC15H11FN2O
Molecular Weight254.26 g/mol
Exact Mass254.09
IUPAC Name3-(2-fluoro-3-methylphenyl)-3-oxo-2-pyridin-3-ylpropanenitrile
SMILESCc1cccc(C(=O)C(C#N)c2cccnc2)c1F
InChIInChI=1S/C15H11FN2O/c1-10-4-2-6-12(14(10)16)15(19)13(8-17)11-5-3-7-18-9-11/h2-7,9,13H,1H3
InChIKeyLGOZQEPXAOYBNY-UHFFFAOYSA-N
XLogP3.02
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-2-methylphenyl)-3-oxo-2-pyridin-3-ylpropanenitrile
CID 80523673
3-(3-methylfuran-2-yl)-3-oxo-2-pyridin-3-ylpropanenitrile
CID 80523816
3-(3-bromo-4-methylphenyl)-3-oxo-2-pyridin-3-ylpropanenitrile
CID 81472043
3-(5-methyl-2-nitrophenyl)-3-oxo-2-pyridin-3-ylpropanenitrile
CID 80521399
ethyl (2S)-2-cyano-2-pyridin-3-ylacetate
CID 86324961
2-(3,5-difluorophenyl)-3-(2-methylphenyl)-3-oxopropanenitrile
CID 61496396
3-(2,3-dimethylphenyl)-2-(3-fluorophenyl)-3-oxopropanenitrile
CID 43334555
3-(2,3-dimethylphenyl)-3-oxo-2-phenylpropanenitrile
CID 43333825
3-oxo-2-pyridin-3-yl-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile
CID 80523694
3-(2-bromo-3-methylphenyl)-2-(3,5-difluorophenyl)-3-oxopropanenitrile
CID 107982684
3-(2-bromo-3-methylphenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile
CID 107982674
3-(3-bromo-2-fluorophenyl)-2-(3,5-difluorophenyl)-3-oxopropanenitrile
CID 107955661

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-3-methylphenyl)-3-oxo-2-pyridin-3-ylpropanenitrile?
The IUPAC name of 3-(2-fluoro-3-methylphenyl)-3-oxo-2-pyridin-3-ylpropanenitrile (CID 81477793) is 3-(2-fluoro-3-methylphenyl)-3-oxo-2-pyridin-3-ylpropanenitrile.
What is the SMILES notation for 3-(2-fluoro-3-methylphenyl)-3-oxo-2-pyridin-3-ylpropanenitrile?
The canonical SMILES for 3-(2-fluoro-3-methylphenyl)-3-oxo-2-pyridin-3-ylpropanenitrile is Cc1cccc(C(=O)C(C#N)c2cccnc2)c1F.
What is the InChIKey of 3-(2-fluoro-3-methylphenyl)-3-oxo-2-pyridin-3-ylpropanenitrile?
The InChIKey is LGOZQEPXAOYBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FN2O/c1-10-4-2-6-12(14(10)16)15(19)13(8-17)11-5-3-7-18-9-11/h2-7,9,13H,1H3.
What are the key properties of 3-(2-fluoro-3-methylphenyl)-3-oxo-2-pyridin-3-ylpropanenitrile?
3-(2-fluoro-3-methylphenyl)-3-oxo-2-pyridin-3-ylpropanenitrile has a molecular weight of 254.26 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-3-methylphenyl)-3-oxo-2-pyridin-3-ylpropanenitrile is sourced from PubChem (CID 81477793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).