N-(2-bromo-3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide

C12H10BrFN2O2S — CID 142566608

IUPACN-(2-bromo-3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide
SMILESO=C1NCCC(O)=C1C(=S)Nc1cccc(F)c1Br
InChIInChI=1S/C12H10BrFN2O2S/c13-10-6(14)2-1-3-7(10)16-12(19)9-8(17)4-5-15-11(9)18/h1-3,17H,4-5H2,(H,15,18)(H,16,19)
InChIKeyJZBSREBOSRBDCO-UHFFFAOYSA-N
MW345.19 g/mol
LogP2.66
Rot. Bonds2

About N-(2-bromo-3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide

N-(2-bromo-3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide (PubChem CID 142566608) has the molecular formula C12H10BrFN2O2S and a molecular weight of 345.19 g/mol. Its IUPAC name is N-(2-bromo-3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide.

Molecular Properties

Compound NameN-(2-bromo-3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide
PubChem CID142566608
Molecular FormulaC12H10BrFN2O2S
Molecular Weight345.19 g/mol
Exact Mass343.96
IUPAC NameN-(2-bromo-3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide
SMILESO=C1NCCC(O)=C1C(=S)Nc1cccc(F)c1Br
InChIInChI=1S/C12H10BrFN2O2S/c13-10-6(14)2-1-3-7(10)16-12(19)9-8(17)4-5-15-11(9)18/h1-3,17H,4-5H2,(H,15,18)(H,16,19)
InChIKeyJZBSREBOSRBDCO-UHFFFAOYSA-N
XLogP2.66
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.19
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide?
The IUPAC name of N-(2-bromo-3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide (CID 142566608) is N-(2-bromo-3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide.
What is the SMILES notation for N-(2-bromo-3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide?
The canonical SMILES for N-(2-bromo-3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide is O=C1NCCC(O)=C1C(=S)Nc1cccc(F)c1Br.
What is the InChIKey of N-(2-bromo-3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide?
The InChIKey is JZBSREBOSRBDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN2O2S/c13-10-6(14)2-1-3-7(10)16-12(19)9-8(17)4-5-15-11(9)18/h1-3,17H,4-5H2,(H,15,18)(H,16,19).
What are the key properties of N-(2-bromo-3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide?
N-(2-bromo-3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide has a molecular weight of 345.19 g/mol, XLogP of 2.66, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide is sourced from PubChem (CID 142566608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).