6-fluoro-4-oxo-1H-pyridine-2-carbonitrile

C6H3FN2O — CID 130822676

IUPAC6-fluoro-4-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1cc(=O)cc(F)[nH]1
InChIInChI=1S/C6H3FN2O/c7-6-2-5(10)1-4(3-8)9-6/h1-2H,(H,9,10)
InChIKeyGEWKNASWBYRQIN-UHFFFAOYSA-N
MW138.10 g/mol
LogP0.39
Rot. Bonds

About 6-fluoro-4-oxo-1H-pyridine-2-carbonitrile

6-fluoro-4-oxo-1H-pyridine-2-carbonitrile (PubChem CID 130822676) has the molecular formula C6H3FN2O and a molecular weight of 138.10 g/mol. Its IUPAC name is 6-fluoro-4-oxo-1H-pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-fluoro-4-oxo-1H-pyridine-2-carbonitrile
PubChem CID130822676
Molecular FormulaC6H3FN2O
Molecular Weight138.10 g/mol
Exact Mass138.02
IUPAC Name6-fluoro-4-oxo-1H-pyridine-2-carbonitrile
SMILESN#Cc1cc(=O)cc(F)[nH]1
InChIInChI=1S/C6H3FN2O/c7-6-2-5(10)1-4(3-8)9-6/h1-2H,(H,9,10)
InChIKeyGEWKNASWBYRQIN-UHFFFAOYSA-N
XLogP0.39
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.10
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-oxo-1H-pyridine-2-carbonitrile?
The IUPAC name of 6-fluoro-4-oxo-1H-pyridine-2-carbonitrile (CID 130822676) is 6-fluoro-4-oxo-1H-pyridine-2-carbonitrile.
What is the SMILES notation for 6-fluoro-4-oxo-1H-pyridine-2-carbonitrile?
The canonical SMILES for 6-fluoro-4-oxo-1H-pyridine-2-carbonitrile is N#Cc1cc(=O)cc(F)[nH]1.
What is the InChIKey of 6-fluoro-4-oxo-1H-pyridine-2-carbonitrile?
The InChIKey is GEWKNASWBYRQIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3FN2O/c7-6-2-5(10)1-4(3-8)9-6/h1-2H,(H,9,10).
What are the key properties of 6-fluoro-4-oxo-1H-pyridine-2-carbonitrile?
6-fluoro-4-oxo-1H-pyridine-2-carbonitrile has a molecular weight of 138.10 g/mol, XLogP of 0.39, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-oxo-1H-pyridine-2-carbonitrile is sourced from PubChem (CID 130822676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).