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

C16H8BrFN2OS — CID 164510733

IUPAC6-(5-bromothiophen-2-yl)-4-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2)cc(-c2ccc(Br)s2)[nH]c1=O
InChIInChI=1S/C16H8BrFN2OS/c17-15-6-5-14(22-15)13-7-11(12(8-19)16(21)20-13)9-1-3-10(18)4-2-9/h1-7H,(H,20,21)
InChIKeyZOHNATCSXTXAIS-UHFFFAOYSA-N
MW375.22 g/mol
LogP4.54
Rot. Bonds2

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

6-(5-bromothiophen-2-yl)-4-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile (PubChem CID 164510733) has the molecular formula C16H8BrFN2OS and a molecular weight of 375.22 g/mol. Its IUPAC name is 6-(5-bromothiophen-2-yl)-4-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(5-bromothiophen-2-yl)-4-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
PubChem CID164510733
Molecular FormulaC16H8BrFN2OS
Molecular Weight375.22 g/mol
Exact Mass373.95
IUPAC Name6-(5-bromothiophen-2-yl)-4-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2)cc(-c2ccc(Br)s2)[nH]c1=O
InChIInChI=1S/C16H8BrFN2OS/c17-15-6-5-14(22-15)13-7-11(12(8-19)16(21)20-13)9-1-3-10(18)4-2-9/h1-7H,(H,20,21)
InChIKeyZOHNATCSXTXAIS-UHFFFAOYSA-N
XLogP4.54
TPSA56.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.22
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-(5-bromothiophen-2-yl)-4-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(5-bromothiophen-2-yl)-4-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The IUPAC name of 6-(5-bromothiophen-2-yl)-4-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile (CID 164510733) is 6-(5-bromothiophen-2-yl)-4-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile.
What is the SMILES notation for 6-(5-bromothiophen-2-yl)-4-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The canonical SMILES for 6-(5-bromothiophen-2-yl)-4-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile is N#Cc1c(-c2ccc(F)cc2)cc(-c2ccc(Br)s2)[nH]c1=O.
What is the InChIKey of 6-(5-bromothiophen-2-yl)-4-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
The InChIKey is ZOHNATCSXTXAIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8BrFN2OS/c17-15-6-5-14(22-15)13-7-11(12(8-19)16(21)20-13)9-1-3-10(18)4-2-9/h1-7H,(H,20,21).
What are the key properties of 6-(5-bromothiophen-2-yl)-4-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile?
6-(5-bromothiophen-2-yl)-4-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile has a molecular weight of 375.22 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-bromothiophen-2-yl)-4-(4-fluorophenyl)-2-oxo-1H-pyridine-3-carbonitrile is sourced from PubChem (CID 164510733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).