2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide

C13H11Cl2N3OS — CID 76916288

IUPAC2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(C(N)=NO)c(Sc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C13H11Cl2N3OS/c1-7-2-4-9(12(16)18-19)13(17-7)20-11-6-8(14)3-5-10(11)15/h2-6,19H,1H3,(H2,16,18)
InChIKeyQHKBEYJRVGAGQZ-UHFFFAOYSA-N
MW328.22 g/mol
LogP3.94
Rot. Bonds3

About 2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide

2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide (PubChem CID 76916288) has the molecular formula C13H11Cl2N3OS and a molecular weight of 328.22 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide
PubChem CID76916288
Molecular FormulaC13H11Cl2N3OS
Molecular Weight328.22 g/mol
Exact Mass327.00
IUPAC Name2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(C(N)=NO)c(Sc2cc(Cl)ccc2Cl)n1
InChIInChI=1S/C13H11Cl2N3OS/c1-7-2-4-9(12(16)18-19)13(17-7)20-11-6-8(14)3-5-10(11)15/h2-6,19H,1H3,(H2,16,18)
InChIKeyQHKBEYJRVGAGQZ-UHFFFAOYSA-N
XLogP3.94
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.22
LogP ≤ 53.94
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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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The IUPAC name of 2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide (CID 76916288) is 2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide.
What is the SMILES notation for 2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The canonical SMILES for 2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide is Cc1ccc(C(N)=NO)c(Sc2cc(Cl)ccc2Cl)n1.
What is the InChIKey of 2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide?
The InChIKey is QHKBEYJRVGAGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl2N3OS/c1-7-2-4-9(12(16)18-19)13(17-7)20-11-6-8(14)3-5-10(11)15/h2-6,19H,1H3,(H2,16,18).
What are the key properties of 2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide?
2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide has a molecular weight of 328.22 g/mol, XLogP of 3.94, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide is sourced from PubChem (CID 76916288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).