6-(3,4-dichlorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide

C12H9Cl2N3OS — CID 77070116

IUPAC6-(3,4-dichlorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide
SMILESNC(=NO)c1ccc(Sc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C12H9Cl2N3OS/c13-9-3-2-8(5-10(9)14)19-11-4-1-7(6-16-11)12(15)17-18/h1-6,18H,(H2,15,17)
InChIKeyLVHIVZLEQRJGFR-UHFFFAOYSA-N
MW314.20 g/mol
LogP3.63
Rot. Bonds3

About 6-(3,4-dichlorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide

6-(3,4-dichlorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide (PubChem CID 77070116) has the molecular formula C12H9Cl2N3OS and a molecular weight of 314.20 g/mol. Its IUPAC name is 6-(3,4-dichlorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(3,4-dichlorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide
PubChem CID77070116
Molecular FormulaC12H9Cl2N3OS
Molecular Weight314.20 g/mol
Exact Mass312.98
IUPAC Name6-(3,4-dichlorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide
SMILESNC(=NO)c1ccc(Sc2ccc(Cl)c(Cl)c2)nc1
InChIInChI=1S/C12H9Cl2N3OS/c13-9-3-2-8(5-10(9)14)19-11-4-1-7(6-16-11)12(15)17-18/h1-6,18H,(H2,15,17)
InChIKeyLVHIVZLEQRJGFR-UHFFFAOYSA-N
XLogP3.63
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.20
LogP ≤ 53.63
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

6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-3-carboximidamide
CID 102924931
N'-hydroxy-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
CID 60874848
N'-hydroxy-6-(1-methylimidazol-2-yl)sulfanylpyridine-3-carboximidamide
CID 43187657
6-(4-chloro-3-fluorophenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 82716185
N'-hydroxy-6-(3-hydroxypropylsulfanyl)pyridine-3-carboximidamide
CID 77112983
3-bromo-4-chloro-N'-hydroxybenzenecarboximidamide
CID 115565457
6-cyclohexylsulfanyl-N'-hydroxypyridine-3-carboximidamide
CID 60884933
6-butylsulfanyl-N'-hydroxypyridine-3-carboximidamide
CID 43615811
6-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 43364410
5-chloro-N'-hydroxy-6-methylsulfanylpyridine-3-carboximidamide
CID 23288277
N'-hydroxy-6-[(3-methylphenyl)methylsulfanyl]pyridine-3-carboximidamide
CID 76948880
6-(2,5-dichlorophenyl)sulfanylpyridine-3-carboxylic acid
CID 29035627

Frequently Asked Questions

What is the IUPAC name of 6-(3,4-dichlorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 6-(3,4-dichlorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide (CID 77070116) is 6-(3,4-dichlorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 6-(3,4-dichlorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 6-(3,4-dichlorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide is NC(=NO)c1ccc(Sc2ccc(Cl)c(Cl)c2)nc1.
What is the InChIKey of 6-(3,4-dichlorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is LVHIVZLEQRJGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl2N3OS/c13-9-3-2-8(5-10(9)14)19-11-4-1-7(6-16-11)12(15)17-18/h1-6,18H,(H2,15,17).
What are the key properties of 6-(3,4-dichlorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide?
6-(3,4-dichlorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 314.20 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,4-dichlorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 77070116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).