2-fluoro-3-oxo-3-pyridin-2-ylpropanenitrile

C8H5FN2O — CID 90434431

IUPAC2-fluoro-3-oxo-3-pyridin-2-ylpropanenitrile
SMILESN#CC(F)C(=O)c1ccccn1
InChIInChI=1S/C8H5FN2O/c9-6(5-10)8(12)7-3-1-2-4-11-7/h1-4,6H
InChIKeyRHDDZPZCEHCIOX-UHFFFAOYSA-N
MW164.14 g/mol
LogP1.13
Rot. Bonds2

About 2-fluoro-3-oxo-3-pyridin-2-ylpropanenitrile

2-fluoro-3-oxo-3-pyridin-2-ylpropanenitrile (PubChem CID 90434431) has the molecular formula C8H5FN2O and a molecular weight of 164.14 g/mol. Its IUPAC name is 2-fluoro-3-oxo-3-pyridin-2-ylpropanenitrile.

Molecular Properties

Compound Name2-fluoro-3-oxo-3-pyridin-2-ylpropanenitrile
PubChem CID90434431
Molecular FormulaC8H5FN2O
Molecular Weight164.14 g/mol
Exact Mass164.04
IUPAC Name2-fluoro-3-oxo-3-pyridin-2-ylpropanenitrile
SMILESN#CC(F)C(=O)c1ccccn1
InChIInChI=1S/C8H5FN2O/c9-6(5-10)8(12)7-3-1-2-4-11-7/h1-4,6H
InChIKeyRHDDZPZCEHCIOX-UHFFFAOYSA-N
XLogP1.13
TPSA53.75 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

pyridine-2-carboxylic acid;tungsten
CID 88770661
2-amino-3-oxo-3-pyridin-2-ylpropanoic acid
CID 116920563
gadolinium;pyridine-2-carboxylic acid
CID 175231422
N-(2-cyanopropyl)pyridine-2-carboxamide
CID 62651477
ethane;pyridine-2-carbonyl fluoride
CID 161184414
2,2-diethoxy-1-pyridin-2-ylethanone
CID 13057565
phosphanyl(pyridin-2-yl)methanone
CID 89397457
hafnium;pyridine-2-carboxylic acid
CID 175130925
CID 175246691
CID 175246691
CID 173156131
CID 173156131
pyridine-2-carbothioic S-acid
CID 158789814
europium;pyridine-2-carboxylic acid
CID 174808227

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-oxo-3-pyridin-2-ylpropanenitrile?
The IUPAC name of 2-fluoro-3-oxo-3-pyridin-2-ylpropanenitrile (CID 90434431) is 2-fluoro-3-oxo-3-pyridin-2-ylpropanenitrile.
What is the SMILES notation for 2-fluoro-3-oxo-3-pyridin-2-ylpropanenitrile?
The canonical SMILES for 2-fluoro-3-oxo-3-pyridin-2-ylpropanenitrile is N#CC(F)C(=O)c1ccccn1.
What is the InChIKey of 2-fluoro-3-oxo-3-pyridin-2-ylpropanenitrile?
The InChIKey is RHDDZPZCEHCIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5FN2O/c9-6(5-10)8(12)7-3-1-2-4-11-7/h1-4,6H.
What are the key properties of 2-fluoro-3-oxo-3-pyridin-2-ylpropanenitrile?
2-fluoro-3-oxo-3-pyridin-2-ylpropanenitrile has a molecular weight of 164.14 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-oxo-3-pyridin-2-ylpropanenitrile is sourced from PubChem (CID 90434431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).