N-(4-fluoro-3-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide

C13H10FN3O3S — CID 2059919

IUPACN-(4-fluoro-3-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10FN3O3S/c14-10-5-4-9(7-11(10)17(19)20)16-12(18)8-21-13-3-1-2-6-15-13/h1-7H,8H2,(H,16,18)
InChIKeyAIAIYCITUDYVFT-UHFFFAOYSA-N
MW307.31 g/mol
LogP2.86
Rot. Bonds5

About N-(4-fluoro-3-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide

N-(4-fluoro-3-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide (PubChem CID 2059919) has the molecular formula C13H10FN3O3S and a molecular weight of 307.31 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide
PubChem CID2059919
Molecular FormulaC13H10FN3O3S
Molecular Weight307.31 g/mol
Exact Mass307.04
IUPAC NameN-(4-fluoro-3-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide
SMILESO=C(CSc1ccccn1)Nc1ccc(F)c([N+](=O)[O-])c1
InChIInChI=1S/C13H10FN3O3S/c14-10-5-4-9(7-11(10)17(19)20)16-12(18)8-21-13-3-1-2-6-15-13/h1-7H,8H2,(H,16,18)
InChIKeyAIAIYCITUDYVFT-UHFFFAOYSA-N
XLogP2.86
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide (CID 2059919) is N-(4-fluoro-3-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide is O=C(CSc1ccccn1)Nc1ccc(F)c([N+](=O)[O-])c1.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide?
The InChIKey is AIAIYCITUDYVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O3S/c14-10-5-4-9(7-11(10)17(19)20)16-12(18)8-21-13-3-1-2-6-15-13/h1-7H,8H2,(H,16,18).
What are the key properties of N-(4-fluoro-3-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide?
N-(4-fluoro-3-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide has a molecular weight of 307.31 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)-2-pyridin-2-ylsulfanylacetamide is sourced from PubChem (CID 2059919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).