N-(4-fluorophenyl)-6-sulfanylidene-1H-pyridine-3-carboxamide

C12H9FN2OS — CID 23499519

IUPACN-(4-fluorophenyl)-6-sulfanylidene-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(=S)[nH]c1
InChIInChI=1S/C12H9FN2OS/c13-9-2-4-10(5-3-9)15-12(16)8-1-6-11(17)14-7-8/h1-7H,(H,14,17)(H,15,16)
InChIKeyQBKWZUMCHVOSTJ-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.14
Rot. Bonds2

About N-(4-fluorophenyl)-6-sulfanylidene-1H-pyridine-3-carboxamide

N-(4-fluorophenyl)-6-sulfanylidene-1H-pyridine-3-carboxamide (PubChem CID 23499519) has the molecular formula C12H9FN2OS and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(4-fluorophenyl)-6-sulfanylidene-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-6-sulfanylidene-1H-pyridine-3-carboxamide
PubChem CID23499519
Molecular FormulaC12H9FN2OS
Molecular Weight248.28 g/mol
Exact Mass248.04
IUPAC NameN-(4-fluorophenyl)-6-sulfanylidene-1H-pyridine-3-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccc(=S)[nH]c1
InChIInChI=1S/C12H9FN2OS/c13-9-2-4-10(5-3-9)15-12(16)8-1-6-11(17)14-7-8/h1-7H,(H,14,17)(H,15,16)
InChIKeyQBKWZUMCHVOSTJ-UHFFFAOYSA-N
XLogP3.14
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(4-fluorophenyl)-6-sulfanylidene-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-6-sulfanylidene-1H-pyridine-3-carboxamide (CID 23499519) is N-(4-fluorophenyl)-6-sulfanylidene-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-6-sulfanylidene-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-6-sulfanylidene-1H-pyridine-3-carboxamide is O=C(Nc1ccc(F)cc1)c1ccc(=S)[nH]c1.
What is the InChIKey of N-(4-fluorophenyl)-6-sulfanylidene-1H-pyridine-3-carboxamide?
The InChIKey is QBKWZUMCHVOSTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2OS/c13-9-2-4-10(5-3-9)15-12(16)8-1-6-11(17)14-7-8/h1-7H,(H,14,17)(H,15,16).
What are the key properties of N-(4-fluorophenyl)-6-sulfanylidene-1H-pyridine-3-carboxamide?
N-(4-fluorophenyl)-6-sulfanylidene-1H-pyridine-3-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 3.14, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-6-sulfanylidene-1H-pyridine-3-carboxamide is sourced from PubChem (CID 23499519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).