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

C13H9FN2O — CID 131869900

IUPAC2-[3-(2-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
SMILESN#CCc1cc[nH]c(=O)c1-c1ccccc1F
InChIInChI=1S/C13H9FN2O/c14-11-4-2-1-3-10(11)12-9(5-7-15)6-8-16-13(12)17/h1-4,6,8H,5H2,(H,16,17)
InChIKeyIUIISQJUAACIRP-UHFFFAOYSA-N
MW228.23 g/mol
LogP2.25
Rot. Bonds2

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

2-[3-(2-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile (PubChem CID 131869900) has the molecular formula C13H9FN2O and a molecular weight of 228.23 g/mol. Its IUPAC name is 2-[3-(2-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[3-(2-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
PubChem CID131869900
Molecular FormulaC13H9FN2O
Molecular Weight228.23 g/mol
Exact Mass228.07
IUPAC Name2-[3-(2-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
SMILESN#CCc1cc[nH]c(=O)c1-c1ccccc1F
InChIInChI=1S/C13H9FN2O/c14-11-4-2-1-3-10(11)12-9(5-7-15)6-8-16-13(12)17/h1-4,6,8H,5H2,(H,16,17)
InChIKeyIUIISQJUAACIRP-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-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
CID 131869901
2-[3-(difluoromethyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
CID 130097132
2-[2-oxo-3-(2,4,6-trichlorophenyl)-1H-pyridin-4-yl]acetonitrile
CID 133092382
4-(2-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 71683757
2-[5-(2-fluorophenyl)-6-oxo-1H-pyridin-3-yl]acetonitrile
CID 131870022
2-(3-nitro-2-oxo-1H-pyridin-4-yl)acetonitrile
CID 130870239
2-[5-fluoro-2-(2-fluorophenyl)-4-pyridinyl]acetonitrile
CID 131870604
4-(2,3-difluorophenyl)-3-fluoro-1H-pyridin-2-one
CID 118852455
2-[2,5-bis(2-fluorophenyl)-4-pyridinyl]acetonitrile
CID 131870539
2-[5-(3-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
CID 131869910
3-chloro-2-(2-fluorophenyl)-6H-1,6-naphthyridin-5-one
CID 146235111
2-(2,3-diphenylphenyl)acetonitrile
CID 151704246

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile?
The IUPAC name of 2-[3-(2-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile (CID 131869900) is 2-[3-(2-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile.
What is the SMILES notation for 2-[3-(2-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile?
The canonical SMILES for 2-[3-(2-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile is N#CCc1cc[nH]c(=O)c1-c1ccccc1F.
What is the InChIKey of 2-[3-(2-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile?
The InChIKey is IUIISQJUAACIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O/c14-11-4-2-1-3-10(11)12-9(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-(2-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile?
2-[3-(2-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-(2-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile is sourced from PubChem (CID 131869900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).