N-(3-fluorophenyl)-3-sulfanylpyridine-2-carboxamide

C12H9FN2OS — CID 5274901

IUPACN-(3-fluorophenyl)-3-sulfanylpyridine-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ncccc1S
InChIInChI=1S/C12H9FN2OS/c13-8-3-1-4-9(7-8)15-12(16)11-10(17)5-2-6-14-11/h1-7,17H,(H,15,16)
InChIKeySAWYQEKMGTYDIM-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.76
Rot. Bonds2

About N-(3-fluorophenyl)-3-sulfanylpyridine-2-carboxamide

N-(3-fluorophenyl)-3-sulfanylpyridine-2-carboxamide (PubChem CID 5274901) has the molecular formula C12H9FN2OS and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-sulfanylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-sulfanylpyridine-2-carboxamide
PubChem CID5274901
Molecular FormulaC12H9FN2OS
Molecular Weight248.28 g/mol
Exact Mass248.04
IUPAC NameN-(3-fluorophenyl)-3-sulfanylpyridine-2-carboxamide
SMILESO=C(Nc1cccc(F)c1)c1ncccc1S
InChIInChI=1S/C12H9FN2OS/c13-8-3-1-4-9(7-8)15-12(16)11-10(17)5-2-6-14-11/h1-7,17H,(H,15,16)
InChIKeySAWYQEKMGTYDIM-UHFFFAOYSA-N
XLogP2.76
TPSA41.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze N-(3-fluorophenyl)-3-sulfanylpyridine-2-carboxamide 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 N-(3-fluorophenyl)-3-sulfanylpyridine-2-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-3-sulfanylpyridine-2-carboxamide (CID 5274901) is N-(3-fluorophenyl)-3-sulfanylpyridine-2-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-sulfanylpyridine-2-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-3-sulfanylpyridine-2-carboxamide is O=C(Nc1cccc(F)c1)c1ncccc1S.
What is the InChIKey of N-(3-fluorophenyl)-3-sulfanylpyridine-2-carboxamide?
The InChIKey is SAWYQEKMGTYDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2OS/c13-8-3-1-4-9(7-8)15-12(16)11-10(17)5-2-6-14-11/h1-7,17H,(H,15,16).
What are the key properties of N-(3-fluorophenyl)-3-sulfanylpyridine-2-carboxamide?
N-(3-fluorophenyl)-3-sulfanylpyridine-2-carboxamide has a molecular weight of 248.28 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-sulfanylpyridine-2-carboxamide is sourced from PubChem (CID 5274901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).