3-chloro-N'-hydroxy-2-(1H-imidazol-2-ylsulfanyl)pyridine-4-carboximidamide

C9H8ClN5OS — CID 136778508

IUPAC3-chloro-N'-hydroxy-2-(1H-imidazol-2-ylsulfanyl)pyridine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(Sc2ncc[nH]2)c1Cl
InChIInChI=1S/C9H8ClN5OS/c10-6-5(7(11)15-16)1-2-12-8(6)17-9-13-3-4-14-9/h1-4,16H,(H2,11,15)(H,13,14)
InChIKeyDNFBUZSEHXGWQU-UHFFFAOYSA-N
MW269.72 g/mol
LogP1.70
Rot. Bonds3

About 3-chloro-N'-hydroxy-2-(1H-imidazol-2-ylsulfanyl)pyridine-4-carboximidamide

3-chloro-N'-hydroxy-2-(1H-imidazol-2-ylsulfanyl)pyridine-4-carboximidamide (PubChem CID 136778508) has the molecular formula C9H8ClN5OS and a molecular weight of 269.72 g/mol. Its IUPAC name is 3-chloro-N'-hydroxy-2-(1H-imidazol-2-ylsulfanyl)pyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-N'-hydroxy-2-(1H-imidazol-2-ylsulfanyl)pyridine-4-carboximidamide
PubChem CID136778508
Molecular FormulaC9H8ClN5OS
Molecular Weight269.72 g/mol
Exact Mass269.01
IUPAC Name3-chloro-N'-hydroxy-2-(1H-imidazol-2-ylsulfanyl)pyridine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(Sc2ncc[nH]2)c1Cl
InChIInChI=1S/C9H8ClN5OS/c10-6-5(7(11)15-16)1-2-12-8(6)17-9-13-3-4-14-9/h1-4,16H,(H2,11,15)(H,13,14)
InChIKeyDNFBUZSEHXGWQU-UHFFFAOYSA-N
XLogP1.70
TPSA100.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.72
LogP ≤ 51.70
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

3-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-4-carboximidamide
CID 136739877
2-[(3-bromo-2-pyridinyl)sulfanyl]-3-chloro-N'-hydroxypyridine-4-carboximidamide
CID 136739874
3-chloro-2-(3-fluorophenyl)sulfanyl-N'-hydroxypyridine-4-carboximidamide
CID 136739884
3-chloro-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxypyridine-4-carboximidamide
CID 136739865
2-chloro-3-(1H-imidazol-2-ylsulfanyl)pyrazine
CID 107780754
3,5-difluoro-N'-hydroxy-4-(1H-imidazol-2-ylsulfanyl)benzenecarboximidamide
CID 114000715
3-chloro-N'-hydroxy-2-[(2-methylpropan-2-yl)oxy]pyridine-4-carboximidamide
CID 136739684
N'-hydroxy-4-(1H-imidazol-2-ylsulfanylmethyl)benzenecarboximidamide
CID 107780293
3-chloro-N'-hydroxy-2-(3-hydroxypropoxy)pyridine-4-carboximidamide
CID 136739694
2,3,5-trichloro-6-(1H-imidazol-2-ylsulfanyl)pyridine
CID 107780767
3-chloro-N'-hydroxy-2-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 136739301
1-[2-chloro-4-(1H-imidazol-2-ylsulfanyl)phenyl]ethanone
CID 107780510

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N'-hydroxy-2-(1H-imidazol-2-ylsulfanyl)pyridine-4-carboximidamide?
The IUPAC name of 3-chloro-N'-hydroxy-2-(1H-imidazol-2-ylsulfanyl)pyridine-4-carboximidamide (CID 136778508) is 3-chloro-N'-hydroxy-2-(1H-imidazol-2-ylsulfanyl)pyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-N'-hydroxy-2-(1H-imidazol-2-ylsulfanyl)pyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-N'-hydroxy-2-(1H-imidazol-2-ylsulfanyl)pyridine-4-carboximidamide is N/C(=N/O)c1ccnc(Sc2ncc[nH]2)c1Cl.
What is the InChIKey of 3-chloro-N'-hydroxy-2-(1H-imidazol-2-ylsulfanyl)pyridine-4-carboximidamide?
The InChIKey is DNFBUZSEHXGWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN5OS/c10-6-5(7(11)15-16)1-2-12-8(6)17-9-13-3-4-14-9/h1-4,16H,(H2,11,15)(H,13,14).
What are the key properties of 3-chloro-N'-hydroxy-2-(1H-imidazol-2-ylsulfanyl)pyridine-4-carboximidamide?
3-chloro-N'-hydroxy-2-(1H-imidazol-2-ylsulfanyl)pyridine-4-carboximidamide has a molecular weight of 269.72 g/mol, XLogP of 1.70, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N'-hydroxy-2-(1H-imidazol-2-ylsulfanyl)pyridine-4-carboximidamide is sourced from PubChem (CID 136778508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).