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

C12H11FN2O2S — CID 137046329

IUPACN-(3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide
SMILESO=C1NCCC(O)=C1C(=S)Nc1cccc(F)c1
InChIInChI=1S/C12H11FN2O2S/c13-7-2-1-3-8(6-7)15-12(18)10-9(16)4-5-14-11(10)17/h1-3,6,16H,4-5H2,(H,14,17)(H,15,18)
InChIKeyBQXWONYNBCDDSI-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.90
Rot. Bonds2

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

N-(3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide (PubChem CID 137046329) has the molecular formula C12H11FN2O2S and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide
PubChem CID137046329
Molecular FormulaC12H11FN2O2S
Molecular Weight266.30 g/mol
Exact Mass266.05
IUPAC NameN-(3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide
SMILESO=C1NCCC(O)=C1C(=S)Nc1cccc(F)c1
InChIInChI=1S/C12H11FN2O2S/c13-7-2-1-3-8(6-7)15-12(18)10-9(16)4-5-14-11(10)17/h1-3,6,16H,4-5H2,(H,14,17)(H,15,18)
InChIKeyBQXWONYNBCDDSI-UHFFFAOYSA-N
XLogP1.90
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.90
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-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide?
The IUPAC name of N-(3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide (CID 137046329) is N-(3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide.
What is the SMILES notation for N-(3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide?
The canonical SMILES for N-(3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide is O=C1NCCC(O)=C1C(=S)Nc1cccc(F)c1.
What is the InChIKey of N-(3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide?
The InChIKey is BQXWONYNBCDDSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2S/c13-7-2-1-3-8(6-7)15-12(18)10-9(16)4-5-14-11(10)17/h1-3,6,16H,4-5H2,(H,14,17)(H,15,18).
What are the key properties of N-(3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide?
N-(3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide has a molecular weight of 266.30 g/mol, XLogP of 1.90, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-4-hydroxy-6-oxo-2,3-dihydro-1H-pyridine-5-carbothioamide is sourced from PubChem (CID 137046329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).