2-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide

C13H11F2N3OS — CID 76916377

IUPAC2-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(C(N)=NO)c(Sc2ccc(F)cc2F)n1
InChIInChI=1S/C13H11F2N3OS/c1-7-2-4-9(12(16)18-19)13(17-7)20-11-5-3-8(14)6-10(11)15/h2-6,19H,1H3,(H2,16,18)
InChIKeyGKEYPWRYTHVBPK-UHFFFAOYSA-N
MW295.31 g/mol
LogP2.91
Rot. Bonds3

About 2-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide

2-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide (PubChem CID 76916377) has the molecular formula C13H11F2N3OS and a molecular weight of 295.31 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide
PubChem CID76916377
Molecular FormulaC13H11F2N3OS
Molecular Weight295.31 g/mol
Exact Mass295.06
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(C(N)=NO)c(Sc2ccc(F)cc2F)n1
InChIInChI=1S/C13H11F2N3OS/c1-7-2-4-9(12(16)18-19)13(17-7)20-11-5-3-8(14)6-10(11)15/h2-6,19H,1H3,(H2,16,18)
InChIKeyGKEYPWRYTHVBPK-UHFFFAOYSA-N
XLogP2.91
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-difluorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide
CID 43167561
2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916288
N'-hydroxy-6-methyl-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyridine-3-carboximidamide
CID 77055888
N'-hydroxy-6-methyl-2-pyrimidin-2-ylsulfanylpyridine-3-carboximidamide
CID 76916444
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 55223405
4-(2,4-difluorophenyl)sulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658549
2-(2-bromo-4-fluorophenoxy)-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916330
N'-hydroxy-2-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboximidamide
CID 76916406
[2-(2,4-difluorophenyl)sulfanyl-6-methylpyrimidin-4-yl]methanamine
CID 107552217
2-chloro-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 53472036
2-chloro-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 6295052
2-(2,4-difluorophenoxy)-N'-hydroxy-5-methylbenzenecarboximidamide
CID 107930131

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide (CID 76916377) is 2-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide is Cc1ccc(C(N)=NO)c(Sc2ccc(F)cc2F)n1.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The InChIKey is GKEYPWRYTHVBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F2N3OS/c1-7-2-4-9(12(16)18-19)13(17-7)20-11-5-3-8(14)6-10(11)15/h2-6,19H,1H3,(H2,16,18).
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide?
2-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide has a molecular weight of 295.31 g/mol, XLogP of 2.91, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide is sourced from PubChem (CID 76916377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).