N-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-carboxamide

C10H10F2N2O3S — CID 103097651

IUPACN-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-carboxamide
SMILESO=C(Nc1ccc(F)nc1F)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H10F2N2O3S/c11-8-2-1-7(9(12)14-8)13-10(15)6-3-4-18(16,17)5-6/h1-2,6H,3-5H2,(H,13,15)
InChIKeyHKFCVCCHJVPNON-UHFFFAOYSA-N
MW276.26 g/mol
LogP0.73
Rot. Bonds2

About N-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-carboxamide

N-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-carboxamide (PubChem CID 103097651) has the molecular formula C10H10F2N2O3S and a molecular weight of 276.26 g/mol. Its IUPAC name is N-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-carboxamide
PubChem CID103097651
Molecular FormulaC10H10F2N2O3S
Molecular Weight276.26 g/mol
Exact Mass276.04
IUPAC NameN-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-carboxamide
SMILESO=C(Nc1ccc(F)nc1F)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H10F2N2O3S/c11-8-2-1-7(9(12)14-8)13-10(15)6-3-4-18(16,17)5-6/h1-2,6H,3-5H2,(H,13,15)
InChIKeyHKFCVCCHJVPNON-UHFFFAOYSA-N
XLogP0.73
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 50.73
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
2-tert-butylsulfanyl-N-(2,6-difluoro-3-pyridinyl)acetamide
CID 103097666
N-(2,6-difluoro-3-pyridinyl)-2-(1,1-dioxothiolan-3-yl)acetamide
CID 103097674
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)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-carboxamide (CID 103097651) is N-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-carboxamide is O=C(Nc1ccc(F)nc1F)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is HKFCVCCHJVPNON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O3S/c11-8-2-1-7(9(12)14-8)13-10(15)6-3-4-18(16,17)5-6/h1-2,6H,3-5H2,(H,13,15).
What are the key properties of N-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-carboxamide?
N-(2,6-difluoro-3-pyridinyl)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 276.26 g/mol, XLogP of 0.73, 2 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)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 103097651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).