5-fluoro-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

C7H5FN2O — CID 90464040

IUPAC5-fluoro-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)cc1F
InChIInChI=1S/C7H5FN2O/c1-4-6(8)2-5(3-9)7(11)10-4/h2H,1H3,(H,10,11)
InChIKeyKYNWOXDMFZKAFX-UHFFFAOYSA-N
MW152.13 g/mol
LogP0.69
Rot. Bonds

About 5-fluoro-6-methyl-2-oxo-1H-pyridine-3-carbonitrile

5-fluoro-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 90464040) has the molecular formula C7H5FN2O and a molecular weight of 152.13 g/mol. Its IUPAC name is 5-fluoro-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-fluoro-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID90464040
Molecular FormulaC7H5FN2O
Molecular Weight152.13 g/mol
Exact Mass152.04
IUPAC Name5-fluoro-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)cc1F
InChIInChI=1S/C7H5FN2O/c1-4-6(8)2-5(3-9)7(11)10-4/h2H,1H3,(H,10,11)
InChIKeyKYNWOXDMFZKAFX-UHFFFAOYSA-N
XLogP0.69
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.13
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-fluoro-6-methyl-2-oxo-1H-pyridine-3-carbonitrile (CID 90464040) is 5-fluoro-6-methyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-fluoro-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-fluoro-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(C#N)cc1F.
What is the InChIKey of 5-fluoro-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is KYNWOXDMFZKAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN2O/c1-4-6(8)2-5(3-9)7(11)10-4/h2H,1H3,(H,10,11).
What are the key properties of 5-fluoro-6-methyl-2-oxo-1H-pyridine-3-carbonitrile?
5-fluoro-6-methyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 152.13 g/mol, XLogP of 0.69, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-methyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 90464040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).