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

C12H10F2N2O2S — CID 137046330

IUPACN-(3,4-difluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide
SMILESO=C1NCCC(O)=C1C(=S)Nc1ccc(F)c(F)c1
InChIInChI=1S/C12H10F2N2O2S/c13-7-2-1-6(5-8(7)14)16-12(19)10-9(17)3-4-15-11(10)18/h1-2,5,17H,3-4H2,(H,15,18)(H,16,19)
InChIKeyGXUKWYUQEAZCNE-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.04
Rot. Bonds2

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

N-(3,4-difluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide (PubChem CID 137046330) has the molecular formula C12H10F2N2O2S and a molecular weight of 284.29 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide
PubChem CID137046330
Molecular FormulaC12H10F2N2O2S
Molecular Weight284.29 g/mol
Exact Mass284.04
IUPAC NameN-(3,4-difluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide
SMILESO=C1NCCC(O)=C1C(=S)Nc1ccc(F)c(F)c1
InChIInChI=1S/C12H10F2N2O2S/c13-7-2-1-6(5-8(7)14)16-12(19)10-9(17)3-4-15-11(10)18/h1-2,5,17H,3-4H2,(H,15,18)(H,16,19)
InChIKeyGXUKWYUQEAZCNE-UHFFFAOYSA-N
XLogP2.04
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.04
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-(3,4-difluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide (CID 137046330) is N-(3,4-difluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide is O=C1NCCC(O)=C1C(=S)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide?
The InChIKey is GXUKWYUQEAZCNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O2S/c13-7-2-1-6(5-8(7)14)16-12(19)10-9(17)3-4-15-11(10)18/h1-2,5,17H,3-4H2,(H,15,18)(H,16,19).
What are the key properties of N-(3,4-difluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide?
N-(3,4-difluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide has a molecular weight of 284.29 g/mol, XLogP of 2.04, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide is sourced from PubChem (CID 137046330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).