2-[3-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile

C13H9FN2O — CID 131869901

IUPAC2-[3-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
SMILESN#CCc1cc[nH]c(=O)c1-c1ccc(F)cc1
InChIInChI=1S/C13H9FN2O/c14-11-3-1-9(2-4-11)12-10(5-7-15)6-8-16-13(12)17/h1-4,6,8H,5H2,(H,16,17)
InChIKeyOGPHMWKSBUTQOR-UHFFFAOYSA-N
MW228.23 g/mol
LogP2.25
Rot. Bonds2

About 2-[3-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile

2-[3-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile (PubChem CID 131869901) has the molecular formula C13H9FN2O and a molecular weight of 228.23 g/mol. Its IUPAC name is 2-[3-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
PubChem CID131869901
Molecular FormulaC13H9FN2O
Molecular Weight228.23 g/mol
Exact Mass228.07
IUPAC Name2-[3-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
SMILESN#CCc1cc[nH]c(=O)c1-c1ccc(F)cc1
InChIInChI=1S/C13H9FN2O/c14-11-3-1-9(2-4-11)12-10(5-7-15)6-8-16-13(12)17/h1-4,6,8H,5H2,(H,16,17)
InChIKeyOGPHMWKSBUTQOR-UHFFFAOYSA-N
XLogP2.25
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(2-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
CID 131869900
2-[2-oxo-3-(2,4,6-trichlorophenyl)-1H-pyridin-4-yl]acetonitrile
CID 133092382
2-[3-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
CID 130097132
2-(3-nitro-2-oxo-1H-pyridin-4-yl)acetonitrile
CID 130870239
2-[5-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
CID 131870389
2-[2-oxo-3-[4-(trifluoromethoxy)phenyl]-1H-pyridin-4-yl]acetic acid
CID 133091656
2-[5-(3-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
CID 131869910
2-(2-fluoro-3-phenyl-4-pyridinyl)acetonitrile
CID 131869813
2-[3-(4-fluorophenyl)-2-(2-oxo-3H-indol-1-yl)phenyl]acetonitrile
CID 154037238
2-[2-fluoro-3-(3-fluorophenyl)-4-pyridinyl]acetonitrile
CID 131870263
2-[5-(3,4-dichlorophenyl)-2-oxo-1H-pyridin-3-yl]acetonitrile
CID 133092843
2-(cyanomethyl)-5-fluorobenzonitrile
CID 45090709

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile?
The IUPAC name of 2-[3-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile (CID 131869901) is 2-[3-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile.
What is the SMILES notation for 2-[3-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile?
The canonical SMILES for 2-[3-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile is N#CCc1cc[nH]c(=O)c1-c1ccc(F)cc1.
What is the InChIKey of 2-[3-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile?
The InChIKey is OGPHMWKSBUTQOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O/c14-11-3-1-9(2-4-11)12-10(5-7-15)6-8-16-13(12)17/h1-4,6,8H,5H2,(H,16,17).
What are the key properties of 2-[3-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile?
2-[3-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile has a molecular weight of 228.23 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile is sourced from PubChem (CID 131869901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).