2-(4-fluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide

C13H12FN3OS — CID 137013878

IUPAC2-(4-fluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(Sc2ccc(F)cc2)n1
InChIInChI=1S/C13H12FN3OS/c1-8-6-9(13(15)17-18)7-12(16-8)19-11-4-2-10(14)3-5-11/h2-7,18H,1H3,(H2,15,17)
InChIKeyAFJSIZKPUWYXDF-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.77
Rot. Bonds3

About 2-(4-fluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide

2-(4-fluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide (PubChem CID 137013878) has the molecular formula C13H12FN3OS and a molecular weight of 277.32 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide
PubChem CID137013878
Molecular FormulaC13H12FN3OS
Molecular Weight277.32 g/mol
Exact Mass277.07
IUPAC Name2-(4-fluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(Sc2ccc(F)cc2)n1
InChIInChI=1S/C13H12FN3OS/c1-8-6-9(13(15)17-18)7-12(16-8)19-11-4-2-10(14)3-5-11/h2-7,18H,1H3,(H2,15,17)
InChIKeyAFJSIZKPUWYXDF-UHFFFAOYSA-N
XLogP2.77
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.77
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-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013920
N'-hydroxy-2-methyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-4-carboximidamide
CID 137013908
2-(N-ethyl-4-fluoroanilino)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013536
3,5-difluoro-N'-hydroxy-4-(4-methoxyphenyl)sulfanylbenzenecarboximidamide
CID 81287042
N'-hydroxy-2-methyl-6-[(2-methylphenyl)methylsulfanyl]pyridine-4-carboximidamide
CID 137013924
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-3-carboximidamide
CID 102924931
2-(3,4-difluorophenyl)sulfanyl-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 61177139
5-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N'-hydroxypyridine-2-carboximidamide
CID 136990975
6-(4-fluorophenyl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103471009
2-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916377
4-(2,4-difluorophenyl)sulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658549
3,5-difluoro-N'-hydroxy-4-[(3-methyl-1,2,4-thiadiazol-5-yl)sulfanyl]benzenecarboximidamide
CID 81283248

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide (CID 137013878) is 2-(4-fluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide is Cc1cc(/C(N)=N/O)cc(Sc2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide?
The InChIKey is AFJSIZKPUWYXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3OS/c1-8-6-9(13(15)17-18)7-12(16-8)19-11-4-2-10(14)3-5-11/h2-7,18H,1H3,(H2,15,17).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide?
2-(4-fluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide has a molecular weight of 277.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-4-carboximidamide is sourced from PubChem (CID 137013878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).