5-fluoro-6-methyl-2-oxo-4-propyl-1H-pyridine-3-carbonitrile

C10H11FN2O — CID 89052624

IUPAC5-fluoro-6-methyl-2-oxo-4-propyl-1H-pyridine-3-carbonitrile
SMILESCCCc1c(F)c(C)[nH]c(=O)c1C#N
InChIInChI=1S/C10H11FN2O/c1-3-4-7-8(5-12)10(14)13-6(2)9(7)11/h3-4H2,1-2H3,(H,13,14)
InChIKeyUBUDAMUYWGZLNG-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.65
Rot. Bonds2

About 5-fluoro-6-methyl-2-oxo-4-propyl-1H-pyridine-3-carbonitrile

5-fluoro-6-methyl-2-oxo-4-propyl-1H-pyridine-3-carbonitrile (PubChem CID 89052624) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 5-fluoro-6-methyl-2-oxo-4-propyl-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-fluoro-6-methyl-2-oxo-4-propyl-1H-pyridine-3-carbonitrile
PubChem CID89052624
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name5-fluoro-6-methyl-2-oxo-4-propyl-1H-pyridine-3-carbonitrile
SMILESCCCc1c(F)c(C)[nH]c(=O)c1C#N
InChIInChI=1S/C10H11FN2O/c1-3-4-7-8(5-12)10(14)13-6(2)9(7)11/h3-4H2,1-2H3,(H,13,14)
InChIKeyUBUDAMUYWGZLNG-UHFFFAOYSA-N
XLogP1.65
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.65
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-4-propyl-1H-pyridine-3-carbonitrile?
The IUPAC name of 5-fluoro-6-methyl-2-oxo-4-propyl-1H-pyridine-3-carbonitrile (CID 89052624) is 5-fluoro-6-methyl-2-oxo-4-propyl-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 5-fluoro-6-methyl-2-oxo-4-propyl-1H-pyridine-3-carbonitrile?
The canonical SMILES for 5-fluoro-6-methyl-2-oxo-4-propyl-1H-pyridine-3-carbonitrile is CCCc1c(F)c(C)[nH]c(=O)c1C#N.
What is the InChIKey of 5-fluoro-6-methyl-2-oxo-4-propyl-1H-pyridine-3-carbonitrile?
The InChIKey is UBUDAMUYWGZLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c1-3-4-7-8(5-12)10(14)13-6(2)9(7)11/h3-4H2,1-2H3,(H,13,14).
What are the key properties of 5-fluoro-6-methyl-2-oxo-4-propyl-1H-pyridine-3-carbonitrile?
5-fluoro-6-methyl-2-oxo-4-propyl-1H-pyridine-3-carbonitrile has a molecular weight of 194.21 g/mol, XLogP of 1.65, 2 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-4-propyl-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 89052624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).