N-(2,6-difluoro-3-pyridinyl)-2-(1,1-dioxothiolan-3-yl)acetamide

C11H12F2N2O3S — CID 103097674

IUPACN-(2,6-difluoro-3-pyridinyl)-2-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CC1CCS(=O)(=O)C1)Nc1ccc(F)nc1F
InChIInChI=1S/C11H12F2N2O3S/c12-9-2-1-8(11(13)15-9)14-10(16)5-7-3-4-19(17,18)6-7/h1-2,7H,3-6H2,(H,14,16)
InChIKeyQXBPOLAIGGSVCS-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.12
Rot. Bonds3

About N-(2,6-difluoro-3-pyridinyl)-2-(1,1-dioxothiolan-3-yl)acetamide

N-(2,6-difluoro-3-pyridinyl)-2-(1,1-dioxothiolan-3-yl)acetamide (PubChem CID 103097674) has the molecular formula C11H12F2N2O3S and a molecular weight of 290.29 g/mol. Its IUPAC name is N-(2,6-difluoro-3-pyridinyl)-2-(1,1-dioxothiolan-3-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-pyridinyl)-2-(1,1-dioxothiolan-3-yl)acetamide
PubChem CID103097674
Molecular FormulaC11H12F2N2O3S
Molecular Weight290.29 g/mol
Exact Mass290.05
IUPAC NameN-(2,6-difluoro-3-pyridinyl)-2-(1,1-dioxothiolan-3-yl)acetamide
SMILESO=C(CC1CCS(=O)(=O)C1)Nc1ccc(F)nc1F
InChIInChI=1S/C11H12F2N2O3S/c12-9-2-1-8(11(13)15-9)14-10(16)5-7-3-4-19(17,18)6-7/h1-2,7H,3-6H2,(H,14,16)
InChIKeyQXBPOLAIGGSVCS-UHFFFAOYSA-N
XLogP1.12
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.12
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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Related Compounds

N-(2,6-difluoro-3-pyridinyl)-2-ethylbutanamide
CID 103097627
N-(2,6-difluoro-3-pyridinyl)-2-methylsulfonylacetamide
CID 103097646
N-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-carboxamide
CID 103097651
2-tert-butylsulfanyl-N-(2,6-difluoro-3-pyridinyl)acetamide
CID 103097666
N-(2,6-difluoro-3-pyridinyl)-3-methylsulfanylpropanamide
CID 103097712
N-(2,6-difluoro-3-pyridinyl)thiane-2-carboxamide
CID 103097718
N-(2,6-difluoro-3-pyridinyl)-2-methylthiolane-2-carboxamide
CID 103097721
N-(2,6-difluoro-3-pyridinyl)-2-(thian-4-yl)acetamide
CID 103097726
N-(2,6-difluoro-3-pyridinyl)-2-methylpentanamide
CID 103097737
N-(2,6-difluoro-3-pyridinyl)-2-methylsulfanylacetamide
CID 103097765
N-(2,6-difluoro-3-pyridinyl)-2-methylsulfonylpropanamide
CID 103097780
N-(2,6-difluoro-3-pyridinyl)cyclopent-3-ene-1-carboxamide
CID 103097794

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-3-pyridinyl)-2-(1,1-dioxothiolan-3-yl)acetamide?
The IUPAC name of N-(2,6-difluoro-3-pyridinyl)-2-(1,1-dioxothiolan-3-yl)acetamide (CID 103097674) is N-(2,6-difluoro-3-pyridinyl)-2-(1,1-dioxothiolan-3-yl)acetamide.
What is the SMILES notation for N-(2,6-difluoro-3-pyridinyl)-2-(1,1-dioxothiolan-3-yl)acetamide?
The canonical SMILES for N-(2,6-difluoro-3-pyridinyl)-2-(1,1-dioxothiolan-3-yl)acetamide is O=C(CC1CCS(=O)(=O)C1)Nc1ccc(F)nc1F.
What is the InChIKey of N-(2,6-difluoro-3-pyridinyl)-2-(1,1-dioxothiolan-3-yl)acetamide?
The InChIKey is QXBPOLAIGGSVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O3S/c12-9-2-1-8(11(13)15-9)14-10(16)5-7-3-4-19(17,18)6-7/h1-2,7H,3-6H2,(H,14,16).
What are the key properties of N-(2,6-difluoro-3-pyridinyl)-2-(1,1-dioxothiolan-3-yl)acetamide?
N-(2,6-difluoro-3-pyridinyl)-2-(1,1-dioxothiolan-3-yl)acetamide has a molecular weight of 290.29 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-3-pyridinyl)-2-(1,1-dioxothiolan-3-yl)acetamide is sourced from PubChem (CID 103097674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).