5-fluoro-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile

C8H7FN2O — CID 67124175

IUPAC5-fluoro-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)c(C)c1F
InChIInChI=1S/C8H7FN2O/c1-4-6(3-10)8(12)11-5(2)7(4)9/h1-2H3,(H,11,12)
InChIKeyPDVLCROWPCNDPM-UHFFFAOYSA-N
MW166.15 g/mol
LogP1.00
Rot. Bonds

About 5-fluoro-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile

5-fluoro-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 67124175) has the molecular formula C8H7FN2O and a molecular weight of 166.15 g/mol. Its IUPAC name is 5-fluoro-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-fluoro-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID67124175
Molecular FormulaC8H7FN2O
Molecular Weight166.15 g/mol
Exact Mass166.05
IUPAC Name5-fluoro-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1[nH]c(=O)c(C#N)c(C)c1F
InChIInChI=1S/C8H7FN2O/c1-4-6(3-10)8(12)11-5(2)7(4)9/h1-2H3,(H,11,12)
InChIKeyPDVLCROWPCNDPM-UHFFFAOYSA-N
XLogP1.00
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.15
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methyl-2-oxo-4-(trifluoromethyl)-1,2-dihydropyridine-3-carbonitrile
CID 247440
3-Cyano-4,6-dimethyl-2-hydroxypyridine
CID 69856
5-Bromo-4,6-dimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 737752
5-Chloro-2-hydroxy-4,6-dimethylnicotinonitrile
CID 2781722
3-Hydroxy-1-methyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
CID 1389675
2-Hydroxy-4,5,6-trimethylnicotinonitrile
CID 642508
1-Ethyl-3-oxo-2,3,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
CID 658812
2-Hydroxy-4-methyl-6-(trifluoromethyl)nicotinonitrile
CID 674145
2-Hydroxy-6-propyl-4-(trifluoromethyl)nicotinonitrile
CID 1478207
6-(Tert-butyl)-2-hydroxy-4-(trifluoromethyl)nicotinonitrile
CID 1480186
2-Hydroxy-6-ethylpyridine-3-carbonitrile
CID 10487008
6-Isopropyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 10583113

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-fluoro-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile (CID 67124175) is 5-fluoro-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-fluoro-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-fluoro-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile is Cc1[nH]c(=O)c(C#N)c(C)c1F.
What is the InChIKey of 5-fluoro-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is PDVLCROWPCNDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2O/c1-4-6(3-10)8(12)11-5(2)7(4)9/h1-2H3,(H,11,12).
What are the key properties of 5-fluoro-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile?
5-fluoro-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 166.15 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4,6-dimethyl-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 67124175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).