2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide

C10H11ClN2O3S — CID 6595863

IUPAC2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide
SMILESO=C(N[C@H]1CCS(=O)(=O)C1)c1cccnc1Cl
InChIInChI=1S/C10H11ClN2O3S/c11-9-8(2-1-4-12-9)10(14)13-7-3-5-17(15,16)6-7/h1-2,4,7H,3,5-6H2,(H,13,14)/t7-/m0/s1
InChIKeyRRFUWQKAODQINI-ZETCQYMHSA-N
MW274.73 g/mol
LogP0.65
Rot. Bonds2

About 2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide

2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide (PubChem CID 6595863) has the molecular formula C10H11ClN2O3S and a molecular weight of 274.73 g/mol. Its IUPAC name is 2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide
PubChem CID6595863
Molecular FormulaC10H11ClN2O3S
Molecular Weight274.73 g/mol
Exact Mass274.02
IUPAC Name2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide
SMILESO=C(N[C@H]1CCS(=O)(=O)C1)c1cccnc1Cl
InChIInChI=1S/C10H11ClN2O3S/c11-9-8(2-1-4-12-9)10(14)13-7-3-5-17(15,16)6-7/h1-2,4,7H,3,5-6H2,(H,13,14)/t7-/m0/s1
InChIKeyRRFUWQKAODQINI-ZETCQYMHSA-N
XLogP0.65
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.73
LogP ≤ 50.65
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

2-chloro-N-(4-methylcyclohexyl)pyridine-3-carboxamide
CID 21487786
3-bromo-2-chloro-N-(1,1-dioxothiolan-3-yl)benzamide
CID 103980277
2-chloro-N-(1-cyclopropylpiperidin-4-yl)pyridine-3-carboxamide
CID 60728134
N-(1,1-dioxothian-3-yl)-2-(methylamino)pyridine-3-carboxamide
CID 63918472
2-bromo-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259720
5-chloro-N-[(3S)-1,1-dioxothian-3-yl]quinoline-8-carboxamide
CID 96547534
N-(1,1-dioxothiolan-3-yl)benzo[f]quinoline-5-carboxamide
CID 71895819
2-chloro-N-(4-methylcycloheptyl)pyridine-3-carboxamide
CID 102796878
2,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259782
2-chloro-N-[4-(trifluoromethyl)cyclohexyl]pyridine-3-carboxamide
CID 60727535
2,4-dichloro-N-(1,1-dioxothiolan-3-yl)benzamide
CID 3126628
N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
CID 110852783

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide (CID 6595863) is 2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide is O=C(N[C@H]1CCS(=O)(=O)C1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide?
The InChIKey is RRFUWQKAODQINI-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11ClN2O3S/c11-9-8(2-1-4-12-9)10(14)13-7-3-5-17(15,16)6-7/h1-2,4,7H,3,5-6H2,(H,13,14)/t7-/m0/s1.
What are the key properties of 2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide?
2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide has a molecular weight of 274.73 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(3S)-1,1-dioxothiolan-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 6595863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).