N'-hydroxy-2-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboximidamide

C9H13N3O2S — CID 76916406

IUPACN'-hydroxy-2-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(C(N)=NO)c(SCCO)n1
InChIInChI=1S/C9H13N3O2S/c1-6-2-3-7(8(10)12-14)9(11-6)15-5-4-13/h2-3,13-14H,4-5H2,1H3,(H2,10,12)
InChIKeyNLPPZZCYSOTQSX-UHFFFAOYSA-N
MW227.29 g/mol
LogP0.57
Rot. Bonds4

About N'-hydroxy-2-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboximidamide

N'-hydroxy-2-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboximidamide (PubChem CID 76916406) has the molecular formula C9H13N3O2S and a molecular weight of 227.29 g/mol. Its IUPAC name is N'-hydroxy-2-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboximidamide
PubChem CID76916406
Molecular FormulaC9H13N3O2S
Molecular Weight227.29 g/mol
Exact Mass227.07
IUPAC NameN'-hydroxy-2-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(C(N)=NO)c(SCCO)n1
InChIInChI=1S/C9H13N3O2S/c1-6-2-3-7(8(10)12-14)9(11-6)15-5-4-13/h2-3,13-14H,4-5H2,1H3,(H2,10,12)
InChIKeyNLPPZZCYSOTQSX-UHFFFAOYSA-N
XLogP0.57
TPSA91.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.29
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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
2-chloro-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 53472036
2-chloro-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 6295052
2-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916377
2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916288
2-ethoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916350
N'-hydroxy-2-[2-(2-hydroxyethyl)phenoxy]-6-methylpyridine-3-carboximidamide
CID 107712563
N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-6-methylpyridine-3-carboximidamide
CID 76916322
2-heptoxy-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916332
2-[butan-2-yl(ethyl)amino]-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916149

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboximidamide (CID 76916406) is N'-hydroxy-2-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboximidamide is Cc1ccc(C(N)=NO)c(SCCO)n1.
What is the InChIKey of N'-hydroxy-2-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboximidamide?
The InChIKey is NLPPZZCYSOTQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2S/c1-6-2-3-7(8(10)12-14)9(11-6)15-5-4-13/h2-3,13-14H,4-5H2,1H3,(H2,10,12).
What are the key properties of N'-hydroxy-2-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboximidamide?
N'-hydroxy-2-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboximidamide has a molecular weight of 227.29 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-(2-hydroxyethylsulfanyl)-6-methylpyridine-3-carboximidamide is sourced from PubChem (CID 76916406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).