5-chloro-N'-hydroxy-6-methylsulfanylpyridine-3-carboximidamide

C7H8ClN3OS — CID 23288277

IUPAC5-chloro-N'-hydroxy-6-methylsulfanylpyridine-3-carboximidamide
SMILESCSc1ncc(/C(N)=N\O)cc1Cl
InChIInChI=1S/C7H8ClN3OS/c1-13-7-5(8)2-4(3-10-7)6(9)11-12/h2-3,12H,1H3,(H2,9,11)
InChIKeyMHUHWGJUZWLXMA-UHFFFAOYSA-N
MW217.68 g/mol
LogP1.55
Rot. Bonds2

About 5-chloro-N'-hydroxy-6-methylsulfanylpyridine-3-carboximidamide

5-chloro-N'-hydroxy-6-methylsulfanylpyridine-3-carboximidamide (PubChem CID 23288277) has the molecular formula C7H8ClN3OS and a molecular weight of 217.68 g/mol. Its IUPAC name is 5-chloro-N'-hydroxy-6-methylsulfanylpyridine-3-carboximidamide.

Molecular Properties

Compound Name5-chloro-N'-hydroxy-6-methylsulfanylpyridine-3-carboximidamide
PubChem CID23288277
Molecular FormulaC7H8ClN3OS
Molecular Weight217.68 g/mol
Exact Mass217.01
IUPAC Name5-chloro-N'-hydroxy-6-methylsulfanylpyridine-3-carboximidamide
SMILESCSc1ncc(/C(N)=N\O)cc1Cl
InChIInChI=1S/C7H8ClN3OS/c1-13-7-5(8)2-4(3-10-7)6(9)11-12/h2-3,12H,1H3,(H2,9,11)
InChIKeyMHUHWGJUZWLXMA-UHFFFAOYSA-N
XLogP1.55
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.68
LogP ≤ 51.55
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

5-amino-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 178051191
4-amino-3,5-dichloro-N'-hydroxybenzenecarboximidamide
CID 2735315
N'-hydroxy-2-methylpyrimidine-5-carboximidamide
CID 177352508
6-(3,4-dichlorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide
CID 77070116
tert-butyl 3-[[3-chloro-5-[(Z)-N'-hydroxycarbamimidoyl]-2-pyridinyl]amino]propanoate
CID 58554231
7-chloro-N'-hydroxy-1,2-benzoxazole-5-carboximidamide
CID 83885583
6-(4-fluorophenyl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103471009
N'-hydroxy-5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboximidamide
CID 106922582
N'-hydroxy-2-methylsulfanylpyridine-3-carboximidamide
CID 76889740
2-fluoro-N'-hydroxypyridine-4-carboximidamide
CID 137242090
6-(2-chloro-5-methylphenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 43364410
6-(4-chloro-3-fluorophenoxy)-N'-hydroxypyridine-3-carboximidamide
CID 82716185

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-hydroxy-6-methylsulfanylpyridine-3-carboximidamide?
The IUPAC name of 5-chloro-N'-hydroxy-6-methylsulfanylpyridine-3-carboximidamide (CID 23288277) is 5-chloro-N'-hydroxy-6-methylsulfanylpyridine-3-carboximidamide.
What is the SMILES notation for 5-chloro-N'-hydroxy-6-methylsulfanylpyridine-3-carboximidamide?
The canonical SMILES for 5-chloro-N'-hydroxy-6-methylsulfanylpyridine-3-carboximidamide is CSc1ncc(/C(N)=N\O)cc1Cl.
What is the InChIKey of 5-chloro-N'-hydroxy-6-methylsulfanylpyridine-3-carboximidamide?
The InChIKey is MHUHWGJUZWLXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClN3OS/c1-13-7-5(8)2-4(3-10-7)6(9)11-12/h2-3,12H,1H3,(H2,9,11).
What are the key properties of 5-chloro-N'-hydroxy-6-methylsulfanylpyridine-3-carboximidamide?
5-chloro-N'-hydroxy-6-methylsulfanylpyridine-3-carboximidamide has a molecular weight of 217.68 g/mol, XLogP of 1.55, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-hydroxy-6-methylsulfanylpyridine-3-carboximidamide is sourced from PubChem (CID 23288277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).