3-(2,4-difluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile

C14H8F2N2O — CID 71628511

IUPAC3-(2,4-difluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile
SMILESN#CC(C(=O)c1ccc(F)cc1F)c1ccccn1
InChIInChI=1S/C14H8F2N2O/c15-9-4-5-10(12(16)7-9)14(19)11(8-17)13-3-1-2-6-18-13/h1-7,11H
InChIKeyYQVNMKQWRDWBNV-UHFFFAOYSA-N
MW258.23 g/mol
LogP2.85
Rot. Bonds3

About 3-(2,4-difluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile

3-(2,4-difluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile (PubChem CID 71628511) has the molecular formula C14H8F2N2O and a molecular weight of 258.23 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile
PubChem CID71628511
Molecular FormulaC14H8F2N2O
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Name3-(2,4-difluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile
SMILESN#CC(C(=O)c1ccc(F)cc1F)c1ccccn1
InChIInChI=1S/C14H8F2N2O/c15-9-4-5-10(12(16)7-9)14(19)11(8-17)13-3-1-2-6-18-13/h1-7,11H
InChIKeyYQVNMKQWRDWBNV-UHFFFAOYSA-N
XLogP2.85
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-fluoro-4-nitrophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 112731917
3-(2,3-difluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 80521115
3-naphthalen-2-yl-3-oxo-2-pyridin-2-ylpropanenitrile
CID 78908818
3-(2-chloro-6-fluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 78908809
3-(5-bromo-2-iodophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 47108256
(2S)-3-[3-(4-fluorophenyl)thiophen-2-yl]-3-oxo-2-pyridin-2-ylpropanenitrile
CID 94809597
(2S)-3-(furan-2-yl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 2321213
(2S)-3-oxo-3-(3-phenoxyphenyl)-2-pyridin-2-ylpropanenitrile
CID 40647060
2-(2,4-difluorophenyl)-2-pyridin-2-ylacetic acid
CID 116824693
3-oxo-2-pyridin-2-yl-3-(2,4,5-trimethylfuran-3-yl)propanenitrile
CID 47179848
3-(1,3-benzodioxol-5-yl)-3-oxo-2-pyridin-2-ylpropanenitrile
CID 47108196
3-(2-fluorophenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile
CID 43334238

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile?
The IUPAC name of 3-(2,4-difluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile (CID 71628511) is 3-(2,4-difluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile.
What is the SMILES notation for 3-(2,4-difluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile?
The canonical SMILES for 3-(2,4-difluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile is N#CC(C(=O)c1ccc(F)cc1F)c1ccccn1.
What is the InChIKey of 3-(2,4-difluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile?
The InChIKey is YQVNMKQWRDWBNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F2N2O/c15-9-4-5-10(12(16)7-9)14(19)11(8-17)13-3-1-2-6-18-13/h1-7,11H.
What are the key properties of 3-(2,4-difluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile?
3-(2,4-difluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile has a molecular weight of 258.23 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-3-oxo-2-pyridin-2-ylpropanenitrile is sourced from PubChem (CID 71628511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).