3-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-4-carboximidamide

C11H8Cl2N4OS — CID 136739877

IUPAC3-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(Sc2ncccc2Cl)c1Cl
InChIInChI=1S/C11H8Cl2N4OS/c12-7-2-1-4-15-10(7)19-11-8(13)6(3-5-16-11)9(14)17-18/h1-5,18H,(H2,14,17)
InChIKeyOHVXAPYCKKCMBD-UHFFFAOYSA-N
MW315.19 g/mol
LogP3.03
Rot. Bonds3

About 3-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-4-carboximidamide

3-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-4-carboximidamide (PubChem CID 136739877) has the molecular formula C11H8Cl2N4OS and a molecular weight of 315.19 g/mol. Its IUPAC name is 3-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-4-carboximidamide.

Molecular Properties

Compound Name3-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-4-carboximidamide
PubChem CID136739877
Molecular FormulaC11H8Cl2N4OS
Molecular Weight315.19 g/mol
Exact Mass313.98
IUPAC Name3-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(Sc2ncccc2Cl)c1Cl
InChIInChI=1S/C11H8Cl2N4OS/c12-7-2-1-4-15-10(7)19-11-8(13)6(3-5-16-11)9(14)17-18/h1-5,18H,(H2,14,17)
InChIKeyOHVXAPYCKKCMBD-UHFFFAOYSA-N
XLogP3.03
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 53.03
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'}

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Related Compounds

2-[(3-bromo-2-pyridinyl)sulfanyl]-3-chloro-N'-hydroxypyridine-4-carboximidamide
CID 136739874
3-chloro-N'-hydroxy-2-(1H-imidazol-2-ylsulfanyl)pyridine-4-carboximidamide
CID 136778508
3-chloro-2-(3-fluorophenyl)sulfanyl-N'-hydroxypyridine-4-carboximidamide
CID 136739884
2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 77037128
4-[(3-chloro-2-pyridinyl)sulfanyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77024995
N'-hydroxy-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-carboximidamide
CID 43187786
3-[(3-bromo-2-pyridinyl)sulfanyl]-N'-hydroxypyridazine-4-carboximidamide
CID 175897067
N'-hydroxy-2-methylsulfanylpyridine-3-carboximidamide
CID 76889740
2-[(3-chloro-2-pyridinyl)sulfanylmethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77037069
3-chloro-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxypyridine-4-carboximidamide
CID 136739865
3-chloro-2-[(2-chlorophenyl)methoxy]-N'-hydroxypyridine-4-carboximidamide
CID 136739641
2-chloro-N'-hydroxybenzenecarboximidamide
CID 3748706

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-4-carboximidamide?
The IUPAC name of 3-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-4-carboximidamide (CID 136739877) is 3-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-4-carboximidamide.
What is the SMILES notation for 3-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-4-carboximidamide?
The canonical SMILES for 3-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-4-carboximidamide is N/C(=N/O)c1ccnc(Sc2ncccc2Cl)c1Cl.
What is the InChIKey of 3-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-4-carboximidamide?
The InChIKey is OHVXAPYCKKCMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N4OS/c12-7-2-1-4-15-10(7)19-11-8(13)6(3-5-16-11)9(14)17-18/h1-5,18H,(H2,14,17).
What are the key properties of 3-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-4-carboximidamide?
3-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-4-carboximidamide has a molecular weight of 315.19 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-4-carboximidamide is sourced from PubChem (CID 136739877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).