2-(3-fluoro-5-methyl-2-oxo-1-pyridinyl)acetonitrile

C8H7FN2O — CID 14836994

IUPAC2-(3-fluoro-5-methyl-2-oxo-1-pyridinyl)acetonitrile
SMILESCc1cc(F)c(=O)n(CC#N)c1
InChIInChI=1S/C8H7FN2O/c1-6-4-7(9)8(12)11(5-6)3-2-10/h4-5H,3H2,1H3
InChIKeyDVDDKNXXSQWRBT-UHFFFAOYSA-N
MW166.15 g/mol
LogP0.82
Rot. Bonds1

About 2-(3-fluoro-5-methyl-2-oxo-1-pyridinyl)acetonitrile

2-(3-fluoro-5-methyl-2-oxo-1-pyridinyl)acetonitrile (PubChem CID 14836994) has the molecular formula C8H7FN2O and a molecular weight of 166.15 g/mol. Its IUPAC name is 2-(3-fluoro-5-methyl-2-oxo-1-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(3-fluoro-5-methyl-2-oxo-1-pyridinyl)acetonitrile
PubChem CID14836994
Molecular FormulaC8H7FN2O
Molecular Weight166.15 g/mol
Exact Mass166.05
IUPAC Name2-(3-fluoro-5-methyl-2-oxo-1-pyridinyl)acetonitrile
SMILESCc1cc(F)c(=O)n(CC#N)c1
InChIInChI=1S/C8H7FN2O/c1-6-4-7(9)8(12)11(5-6)3-2-10/h4-5H,3H2,1H3
InChIKeyDVDDKNXXSQWRBT-UHFFFAOYSA-N
XLogP0.82
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methyl-2-oxo-1-pyridinyl)acetonitrile?
The IUPAC name of 2-(3-fluoro-5-methyl-2-oxo-1-pyridinyl)acetonitrile (CID 14836994) is 2-(3-fluoro-5-methyl-2-oxo-1-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(3-fluoro-5-methyl-2-oxo-1-pyridinyl)acetonitrile?
The canonical SMILES for 2-(3-fluoro-5-methyl-2-oxo-1-pyridinyl)acetonitrile is Cc1cc(F)c(=O)n(CC#N)c1.
What is the InChIKey of 2-(3-fluoro-5-methyl-2-oxo-1-pyridinyl)acetonitrile?
The InChIKey is DVDDKNXXSQWRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O/c1-6-4-7(9)8(12)11(5-6)3-2-10/h4-5H,3H2,1H3.
What are the key properties of 2-(3-fluoro-5-methyl-2-oxo-1-pyridinyl)acetonitrile?
2-(3-fluoro-5-methyl-2-oxo-1-pyridinyl)acetonitrile has a molecular weight of 166.15 g/mol, XLogP of 0.82, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methyl-2-oxo-1-pyridinyl)acetonitrile is sourced from PubChem (CID 14836994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).