6-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile

C17H11FN2OS — CID 19656659

IUPAC6-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccc(F)cc3)[nH]c(=O)c2C#N)s1
InChIInChI=1S/C17H11FN2OS/c1-10-2-7-16(22-10)13-8-15(20-17(21)14(13)9-19)11-3-5-12(18)6-4-11/h2-8H,1H3,(H,20,21)
InChIKeyZAQZOWHZBLUBMO-UHFFFAOYSA-N
MW310.35 g/mol
LogP4.09
Rot. Bonds2

About 6-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile

6-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 19656659) has the molecular formula C17H11FN2OS and a molecular weight of 310.35 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID19656659
Molecular FormulaC17H11FN2OS
Molecular Weight310.35 g/mol
Exact Mass310.06
IUPAC Name6-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESCc1ccc(-c2cc(-c3ccc(F)cc3)[nH]c(=O)c2C#N)s1
InChIInChI=1S/C17H11FN2OS/c1-10-2-7-16(22-10)13-8-15(20-17(21)14(13)9-19)11-3-5-12(18)6-4-11/h2-8H,1H3,(H,20,21)
InChIKeyZAQZOWHZBLUBMO-UHFFFAOYSA-N
XLogP4.09
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile (CID 19656659) is 6-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile is Cc1ccc(-c2cc(-c3ccc(F)cc3)[nH]c(=O)c2C#N)s1.
What is the InChIKey of 6-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is ZAQZOWHZBLUBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FN2OS/c1-10-2-7-16(22-10)13-8-15(20-17(21)14(13)9-19)11-3-5-12(18)6-4-11/h2-8H,1H3,(H,20,21).
What are the key properties of 6-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile?
6-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 310.35 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-4-(5-methylthiophen-2-yl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 19656659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).