2-[(5-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide

C13H12ClN3OS — CID 107110958

IUPAC2-[(5-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O)c1Sc1ccc(Cl)cn1
InChIInChI=1S/C13H12ClN3OS/c1-8-3-2-4-10(13(15)17-18)12(8)19-11-6-5-9(14)7-16-11/h2-7,18H,1H3,(H2,15,17)
InChIKeyQGFYIKUHHRSIFI-UHFFFAOYSA-N
MW293.78 g/mol
LogP3.29
Rot. Bonds3

About 2-[(5-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide

2-[(5-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide (PubChem CID 107110958) has the molecular formula C13H12ClN3OS and a molecular weight of 293.78 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide
PubChem CID107110958
Molecular FormulaC13H12ClN3OS
Molecular Weight293.78 g/mol
Exact Mass293.04
IUPAC Name2-[(5-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide
SMILESCc1cccc(/C(N)=N/O)c1Sc1ccc(Cl)cn1
InChIInChI=1S/C13H12ClN3OS/c1-8-3-2-4-10(13(15)17-18)12(8)19-11-6-5-9(14)7-16-11/h2-7,18H,1H3,(H2,15,17)
InChIKeyQGFYIKUHHRSIFI-UHFFFAOYSA-N
XLogP3.29
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.78
LogP ≤ 53.29
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-bromo-6-[(5-chloro-2-pyridinyl)sulfanyl]-N'-hydroxybenzenecarboximidamide
CID 114884333
ethyl 3-amino-2-[(5-chloro-2-pyridinyl)sulfanyl]benzoate
CID 115935992
2-butylsulfanyl-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107110916
N'-hydroxy-3-methyl-2-propylsulfanylbenzenecarboximidamide
CID 107110903
N'-hydroxy-3-methyl-2-(7H-purin-6-ylsulfanyl)benzenecarboximidamide
CID 107110927
2-[(2-chlorophenyl)methylsulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107110977
[3-chloro-2-[(5-chloro-2-pyridinyl)sulfanyl]phenyl]methanamine
CID 114070361
N'-hydroxy-3-methyl-2-(3-methylcyclohexyl)sulfanylbenzenecarboximidamide
CID 107110933
2-(4-chloro-3-methylpyrazol-1-yl)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109578
2-(4-chloro-2-methylphenoxy)-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107109614
N'-hydroxy-2-methoxy-3-methylbenzenecarboximidamide
CID 88561585
6-(3,4-dichlorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide
CID 77070116

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide (CID 107110958) is 2-[(5-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide is Cc1cccc(/C(N)=N/O)c1Sc1ccc(Cl)cn1.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
The InChIKey is QGFYIKUHHRSIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3OS/c1-8-3-2-4-10(13(15)17-18)12(8)19-11-6-5-9(14)7-16-11/h2-7,18H,1H3,(H2,15,17).
What are the key properties of 2-[(5-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide?
2-[(5-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide has a molecular weight of 293.78 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107110958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).