N-(4-chloro-1,1-dioxothiolan-3-yl)-5-fluoropyridine-3-carboxamide

C10H10ClFN2O3S — CID 113452887

IUPACN-(4-chloro-1,1-dioxothiolan-3-yl)-5-fluoropyridine-3-carboxamide
SMILESO=C(NC1CS(=O)(=O)CC1Cl)c1cncc(F)c1
InChIInChI=1S/C10H10ClFN2O3S/c11-8-4-18(16,17)5-9(8)14-10(15)6-1-7(12)3-13-2-6/h1-3,8-9H,4-5H2,(H,14,15)
InChIKeyBMEGFBOYBLTSII-UHFFFAOYSA-N
MW292.72 g/mol
LogP0.35
Rot. Bonds2

About N-(4-chloro-1,1-dioxothiolan-3-yl)-5-fluoropyridine-3-carboxamide

N-(4-chloro-1,1-dioxothiolan-3-yl)-5-fluoropyridine-3-carboxamide (PubChem CID 113452887) has the molecular formula C10H10ClFN2O3S and a molecular weight of 292.72 g/mol. Its IUPAC name is N-(4-chloro-1,1-dioxothiolan-3-yl)-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-1,1-dioxothiolan-3-yl)-5-fluoropyridine-3-carboxamide
PubChem CID113452887
Molecular FormulaC10H10ClFN2O3S
Molecular Weight292.72 g/mol
Exact Mass292.01
IUPAC NameN-(4-chloro-1,1-dioxothiolan-3-yl)-5-fluoropyridine-3-carboxamide
SMILESO=C(NC1CS(=O)(=O)CC1Cl)c1cncc(F)c1
InChIInChI=1S/C10H10ClFN2O3S/c11-8-4-18(16,17)5-9(8)14-10(15)6-1-7(12)3-13-2-6/h1-3,8-9H,4-5H2,(H,14,15)
InChIKeyBMEGFBOYBLTSII-UHFFFAOYSA-N
XLogP0.35
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.72
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1,1-dioxothiolan-3-yl)-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-1,1-dioxothiolan-3-yl)-5-fluoropyridine-3-carboxamide (CID 113452887) is N-(4-chloro-1,1-dioxothiolan-3-yl)-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-1,1-dioxothiolan-3-yl)-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-1,1-dioxothiolan-3-yl)-5-fluoropyridine-3-carboxamide is O=C(NC1CS(=O)(=O)CC1Cl)c1cncc(F)c1.
What is the InChIKey of N-(4-chloro-1,1-dioxothiolan-3-yl)-5-fluoropyridine-3-carboxamide?
The InChIKey is BMEGFBOYBLTSII-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2O3S/c11-8-4-18(16,17)5-9(8)14-10(15)6-1-7(12)3-13-2-6/h1-3,8-9H,4-5H2,(H,14,15).
What are the key properties of N-(4-chloro-1,1-dioxothiolan-3-yl)-5-fluoropyridine-3-carboxamide?
N-(4-chloro-1,1-dioxothiolan-3-yl)-5-fluoropyridine-3-carboxamide has a molecular weight of 292.72 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1,1-dioxothiolan-3-yl)-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 113452887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).