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

C7H4BrFN2O — CID 14836989

IUPAC2-(5-bromo-3-fluoro-2-oxo-1-pyridinyl)acetonitrile
SMILESN#CCn1cc(Br)cc(F)c1=O
InChIInChI=1S/C7H4BrFN2O/c8-5-3-6(9)7(12)11(4-5)2-1-10/h3-4H,2H2
InChIKeyKAHSFFLTMUHUBD-UHFFFAOYSA-N
MW231.02 g/mol
LogP1.27
Rot. Bonds1

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

2-(5-bromo-3-fluoro-2-oxo-1-pyridinyl)acetonitrile (PubChem CID 14836989) has the molecular formula C7H4BrFN2O and a molecular weight of 231.02 g/mol. Its IUPAC name is 2-(5-bromo-3-fluoro-2-oxo-1-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(5-bromo-3-fluoro-2-oxo-1-pyridinyl)acetonitrile
PubChem CID14836989
Molecular FormulaC7H4BrFN2O
Molecular Weight231.02 g/mol
Exact Mass229.95
IUPAC Name2-(5-bromo-3-fluoro-2-oxo-1-pyridinyl)acetonitrile
SMILESN#CCn1cc(Br)cc(F)c1=O
InChIInChI=1S/C7H4BrFN2O/c8-5-3-6(9)7(12)11(4-5)2-1-10/h3-4H,2H2
InChIKeyKAHSFFLTMUHUBD-UHFFFAOYSA-N
XLogP1.27
TPSA45.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.02
LogP ≤ 51.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-fluoro-2-oxo-1-pyridinyl)acetonitrile?
The IUPAC name of 2-(5-bromo-3-fluoro-2-oxo-1-pyridinyl)acetonitrile (CID 14836989) is 2-(5-bromo-3-fluoro-2-oxo-1-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(5-bromo-3-fluoro-2-oxo-1-pyridinyl)acetonitrile?
The canonical SMILES for 2-(5-bromo-3-fluoro-2-oxo-1-pyridinyl)acetonitrile is N#CCn1cc(Br)cc(F)c1=O.
What is the InChIKey of 2-(5-bromo-3-fluoro-2-oxo-1-pyridinyl)acetonitrile?
The InChIKey is KAHSFFLTMUHUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4BrFN2O/c8-5-3-6(9)7(12)11(4-5)2-1-10/h3-4H,2H2.
What are the key properties of 2-(5-bromo-3-fluoro-2-oxo-1-pyridinyl)acetonitrile?
2-(5-bromo-3-fluoro-2-oxo-1-pyridinyl)acetonitrile has a molecular weight of 231.02 g/mol, XLogP of 1.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-fluoro-2-oxo-1-pyridinyl)acetonitrile is sourced from PubChem (CID 14836989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).