2-[5-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]acetonitrile

C13H9FN2O — CID 131870389

IUPAC2-[5-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
SMILESN#CCc1ccc(-c2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C13H9FN2O/c14-10-3-1-9(2-4-10)12-6-5-11(7-8-15)16-13(12)17/h1-6H,7H2,(H,16,17)
InChIKeyABARAZWVYPAQHD-UHFFFAOYSA-N
MW228.23 g/mol
LogP2.25
Rot. Bonds2

About 2-[5-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]acetonitrile

2-[5-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]acetonitrile (PubChem CID 131870389) has the molecular formula C13H9FN2O and a molecular weight of 228.23 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]acetonitrile.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
PubChem CID131870389
Molecular FormulaC13H9FN2O
Molecular Weight228.23 g/mol
Exact Mass228.07
IUPAC Name2-[5-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]acetonitrile
SMILESN#CCc1ccc(-c2ccc(F)cc2)c(=O)[nH]1
InChIInChI=1S/C13H9FN2O/c14-10-3-1-9(2-4-10)12-6-5-11(7-8-15)16-13(12)17/h1-6H,7H2,(H,16,17)
InChIKeyABARAZWVYPAQHD-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-[3,6-bis(4-fluorophenyl)-2-pyridinyl]acetonitrile
CID 131869856
2-[3-(4-fluorophenyl)-2-oxo-1H-pyridin-4-yl]acetonitrile
CID 131869901
2-[6-amino-3-(4-fluorophenyl)-2-pyridinyl]acetonitrile
CID 131869791
2-(5-methyl-1H-pyrrol-2-yl)acetonitrile
CID 84762124
2-(5-fluoro-2-phenylphenyl)acetonitrile
CID 46314808
2-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]acetonitrile
CID 82397195
2-[4-(4-fluorophenyl)-1-benzothiophen-2-yl]acetonitrile
CID 142725184
N-(2-cyanoethyl)-6-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 125491034
2-[4-[(4-fluorophenyl)methyl]phenyl]acetonitrile
CID 14461233
2-[5-(difluoromethyl)-4-hydroxy-6-oxo-1H-pyridin-2-yl]acetonitrile
CID 130100201
2-(5-naphthalen-1-yl-1H-indol-2-yl)acetonitrile
CID 54172990
2-[4-(difluoromethyl)-5-nitro-6-oxo-1H-pyridin-2-yl]acetonitrile
CID 118840092

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]acetonitrile?
The IUPAC name of 2-[5-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]acetonitrile (CID 131870389) is 2-[5-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]acetonitrile.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]acetonitrile?
The canonical SMILES for 2-[5-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]acetonitrile is N#CCc1ccc(-c2ccc(F)cc2)c(=O)[nH]1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]acetonitrile?
The InChIKey is ABARAZWVYPAQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN2O/c14-10-3-1-9(2-4-10)12-6-5-11(7-8-15)16-13(12)17/h1-6H,7H2,(H,16,17).
What are the key properties of 2-[5-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]acetonitrile?
2-[5-(4-fluorophenyl)-6-oxo-1H-pyridin-2-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-[5-(4-fluorophenyl)-6-oxo-1H-pyridin-2-yl]acetonitrile is sourced from PubChem (CID 131870389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).