5-chloro-N'-hydroxy-3-(4-methoxyphenyl)sulfanylpyridine-2-carboximidamide

C13H12ClN3O2S — CID 172625623

IUPAC5-chloro-N'-hydroxy-3-(4-methoxyphenyl)sulfanylpyridine-2-carboximidamide
SMILESCOc1ccc(Sc2cc(Cl)cnc2C(N)=NO)cc1
InChIInChI=1S/C13H12ClN3O2S/c1-19-9-2-4-10(5-3-9)20-11-6-8(14)7-16-12(11)13(15)17-18/h2-7,18H,1H3,(H2,15,17)
InChIKeyHXOFTDYGICVFJQ-UHFFFAOYSA-N
MW309.78 g/mol
LogP2.99
Rot. Bonds4

About 5-chloro-N'-hydroxy-3-(4-methoxyphenyl)sulfanylpyridine-2-carboximidamide

5-chloro-N'-hydroxy-3-(4-methoxyphenyl)sulfanylpyridine-2-carboximidamide (PubChem CID 172625623) has the molecular formula C13H12ClN3O2S and a molecular weight of 309.78 g/mol. Its IUPAC name is 5-chloro-N'-hydroxy-3-(4-methoxyphenyl)sulfanylpyridine-2-carboximidamide.

Molecular Properties

Compound Name5-chloro-N'-hydroxy-3-(4-methoxyphenyl)sulfanylpyridine-2-carboximidamide
PubChem CID172625623
Molecular FormulaC13H12ClN3O2S
Molecular Weight309.78 g/mol
Exact Mass309.03
IUPAC Name5-chloro-N'-hydroxy-3-(4-methoxyphenyl)sulfanylpyridine-2-carboximidamide
SMILESCOc1ccc(Sc2cc(Cl)cnc2C(N)=NO)cc1
InChIInChI=1S/C13H12ClN3O2S/c1-19-9-2-4-10(5-3-9)20-11-6-8(14)7-16-12(11)13(15)17-18/h2-7,18H,1H3,(H2,15,17)
InChIKeyHXOFTDYGICVFJQ-UHFFFAOYSA-N
XLogP2.99
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.78
LogP ≤ 52.99
H-Bond Donors ≤ 52
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'}

Analyze 5-chloro-N'-hydroxy-3-(4-methoxyphenyl)sulfanylpyridine-2-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N'-hydroxy-3-(4-methoxyphenyl)sulfanylpyridine-2-carboximidamide?
The IUPAC name of 5-chloro-N'-hydroxy-3-(4-methoxyphenyl)sulfanylpyridine-2-carboximidamide (CID 172625623) is 5-chloro-N'-hydroxy-3-(4-methoxyphenyl)sulfanylpyridine-2-carboximidamide.
What is the SMILES notation for 5-chloro-N'-hydroxy-3-(4-methoxyphenyl)sulfanylpyridine-2-carboximidamide?
The canonical SMILES for 5-chloro-N'-hydroxy-3-(4-methoxyphenyl)sulfanylpyridine-2-carboximidamide is COc1ccc(Sc2cc(Cl)cnc2C(N)=NO)cc1.
What is the InChIKey of 5-chloro-N'-hydroxy-3-(4-methoxyphenyl)sulfanylpyridine-2-carboximidamide?
The InChIKey is HXOFTDYGICVFJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2S/c1-19-9-2-4-10(5-3-9)20-11-6-8(14)7-16-12(11)13(15)17-18/h2-7,18H,1H3,(H2,15,17).
What are the key properties of 5-chloro-N'-hydroxy-3-(4-methoxyphenyl)sulfanylpyridine-2-carboximidamide?
5-chloro-N'-hydroxy-3-(4-methoxyphenyl)sulfanylpyridine-2-carboximidamide has a molecular weight of 309.78 g/mol, XLogP of 2.99, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N'-hydroxy-3-(4-methoxyphenyl)sulfanylpyridine-2-carboximidamide is sourced from PubChem (CID 172625623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).