N-(4-bromo-3-hydroxy-2-pyridinyl)-1,1-dioxothiolane-3-carboxamide

C10H11BrN2O4S — CID 167875557

IUPACN-(4-bromo-3-hydroxy-2-pyridinyl)-1,1-dioxothiolane-3-carboxamide
SMILESO=C(Nc1nccc(Br)c1O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H11BrN2O4S/c11-7-1-3-12-9(8(7)14)13-10(15)6-2-4-18(16,17)5-6/h1,3,6,14H,2,4-5H2,(H,12,13,15)
InChIKeyFRBUYKMJJAYLEM-UHFFFAOYSA-N
MW335.18 g/mol
LogP0.92
Rot. Bonds2

About N-(4-bromo-3-hydroxy-2-pyridinyl)-1,1-dioxothiolane-3-carboxamide

N-(4-bromo-3-hydroxy-2-pyridinyl)-1,1-dioxothiolane-3-carboxamide (PubChem CID 167875557) has the molecular formula C10H11BrN2O4S and a molecular weight of 335.18 g/mol. Its IUPAC name is N-(4-bromo-3-hydroxy-2-pyridinyl)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-3-hydroxy-2-pyridinyl)-1,1-dioxothiolane-3-carboxamide
PubChem CID167875557
Molecular FormulaC10H11BrN2O4S
Molecular Weight335.18 g/mol
Exact Mass333.96
IUPAC NameN-(4-bromo-3-hydroxy-2-pyridinyl)-1,1-dioxothiolane-3-carboxamide
SMILESO=C(Nc1nccc(Br)c1O)C1CCS(=O)(=O)C1
InChIInChI=1S/C10H11BrN2O4S/c11-7-1-3-12-9(8(7)14)13-10(15)6-2-4-18(16,17)5-6/h1,3,6,14H,2,4-5H2,(H,12,13,15)
InChIKeyFRBUYKMJJAYLEM-UHFFFAOYSA-N
XLogP0.92
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.18
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(2-bromophenyl)-1,1-dioxothiolane-3-carboxamide
CID 94015109
N-(5-bromo-3-methyl-2-pyridinyl)-1,1-dioxothiolane-3-carboxamide
CID 75430216
N-(2-chloro-4-methyl-3-pyridinyl)-1,1-dioxothiolane-3-carboxamide
CID 103696096
N-[2-[(2-bromophenyl)methyl]pyrazol-3-yl]-1,1-dioxothiolane-3-carboxamide
CID 18102469
N-[4-(hydroxymethyl)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 64793559
1,1-dioxo-N-(4-sulfamoylphenyl)thiolane-3-carboxamide
CID 60674860
1,1-dioxo-N-(1H-pyrazol-4-yl)thiolane-3-carboxamide
CID 43429642
N-(3,4-dichlorophenyl)-1,1-dioxothiolane-3-carboxamide
CID 17466033
N-(3-amino-4-pyridinyl)-1,1-dioxothiolane-3-carboxamide
CID 64913582
(3R)-N-(4-bromo-2-fluorophenyl)-1,1-dioxothiolane-3-carboxamide
CID 51534988
N-(2-amino-4-bromophenyl)-1,1-dioxothiolane-3-carboxamide
CID 64913377
(3S)-N-(3-methylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 8871781

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-hydroxy-2-pyridinyl)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of N-(4-bromo-3-hydroxy-2-pyridinyl)-1,1-dioxothiolane-3-carboxamide (CID 167875557) is N-(4-bromo-3-hydroxy-2-pyridinyl)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for N-(4-bromo-3-hydroxy-2-pyridinyl)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for N-(4-bromo-3-hydroxy-2-pyridinyl)-1,1-dioxothiolane-3-carboxamide is O=C(Nc1nccc(Br)c1O)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(4-bromo-3-hydroxy-2-pyridinyl)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is FRBUYKMJJAYLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O4S/c11-7-1-3-12-9(8(7)14)13-10(15)6-2-4-18(16,17)5-6/h1,3,6,14H,2,4-5H2,(H,12,13,15).
What are the key properties of N-(4-bromo-3-hydroxy-2-pyridinyl)-1,1-dioxothiolane-3-carboxamide?
N-(4-bromo-3-hydroxy-2-pyridinyl)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 335.18 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-hydroxy-2-pyridinyl)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 167875557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).