2-fluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide

C11H13FN2O3S — CID 107358572

IUPAC2-fluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
SMILESCC1(NC(=O)c2cccnc2F)CCS(=O)(=O)C1
InChIInChI=1S/C11H13FN2O3S/c1-11(4-6-18(16,17)7-11)14-10(15)8-3-2-5-13-9(8)12/h2-3,5H,4,6-7H2,1H3,(H,14,15)
InChIKeyZVXZVZMNTOTLOB-UHFFFAOYSA-N
MW272.30 g/mol
LogP0.53
Rot. Bonds2

About 2-fluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide

2-fluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide (PubChem CID 107358572) has the molecular formula C11H13FN2O3S and a molecular weight of 272.30 g/mol. Its IUPAC name is 2-fluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
PubChem CID107358572
Molecular FormulaC11H13FN2O3S
Molecular Weight272.30 g/mol
Exact Mass272.06
IUPAC Name2-fluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
SMILESCC1(NC(=O)c2cccnc2F)CCS(=O)(=O)C1
InChIInChI=1S/C11H13FN2O3S/c1-11(4-6-18(16,17)7-11)14-10(15)8-3-2-5-13-9(8)12/h2-3,5H,4,6-7H2,1H3,(H,14,15)
InChIKeyZVXZVZMNTOTLOB-UHFFFAOYSA-N
XLogP0.53
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
The IUPAC name of 2-fluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide (CID 107358572) is 2-fluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-fluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-fluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide is CC1(NC(=O)c2cccnc2F)CCS(=O)(=O)C1.
What is the InChIKey of 2-fluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
The InChIKey is ZVXZVZMNTOTLOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3S/c1-11(4-6-18(16,17)7-11)14-10(15)8-3-2-5-13-9(8)12/h2-3,5H,4,6-7H2,1H3,(H,14,15).
What are the key properties of 2-fluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide?
2-fluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide has a molecular weight of 272.30 g/mol, XLogP of 0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 107358572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).