3-[(3-bromo-2-pyridinyl)sulfanyl]-N'-hydroxypyridazine-4-carboximidamide

C10H8BrN5OS — CID 175897067

IUPAC3-[(3-bromo-2-pyridinyl)sulfanyl]-N'-hydroxypyridazine-4-carboximidamide
SMILESNC(=NO)c1ccnnc1Sc1ncccc1Br
InChIInChI=1S/C10H8BrN5OS/c11-7-2-1-4-13-10(7)18-9-6(8(12)16-17)3-5-14-15-9/h1-5,17H,(H2,12,16)
InChIKeyIDMOWJUJPUKZPD-UHFFFAOYSA-N
MW326.18 g/mol
LogP1.88
Rot. Bonds3

About 3-[(3-bromo-2-pyridinyl)sulfanyl]-N'-hydroxypyridazine-4-carboximidamide

3-[(3-bromo-2-pyridinyl)sulfanyl]-N'-hydroxypyridazine-4-carboximidamide (PubChem CID 175897067) has the molecular formula C10H8BrN5OS and a molecular weight of 326.18 g/mol. Its IUPAC name is 3-[(3-bromo-2-pyridinyl)sulfanyl]-N'-hydroxypyridazine-4-carboximidamide.

Molecular Properties

Compound Name3-[(3-bromo-2-pyridinyl)sulfanyl]-N'-hydroxypyridazine-4-carboximidamide
PubChem CID175897067
Molecular FormulaC10H8BrN5OS
Molecular Weight326.18 g/mol
Exact Mass324.96
IUPAC Name3-[(3-bromo-2-pyridinyl)sulfanyl]-N'-hydroxypyridazine-4-carboximidamide
SMILESNC(=NO)c1ccnnc1Sc1ncccc1Br
InChIInChI=1S/C10H8BrN5OS/c11-7-2-1-4-13-10(7)18-9-6(8(12)16-17)3-5-14-15-9/h1-5,17H,(H2,12,16)
InChIKeyIDMOWJUJPUKZPD-UHFFFAOYSA-N
XLogP1.88
TPSA97.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.18
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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
N'-hydroxy-3-pyridin-4-ylsulfanylpyridazine-4-carboximidamide
CID 168908867
N'-hydroxy-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-carboximidamide
CID 43187786
N'-hydroxy-2-methylsulfanylpyridine-3-carboximidamide
CID 76889740
3-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-4-carboximidamide
CID 136739877
N'-hydroxy-3-(4-methoxyphenyl)sulfanylpyridazine-4-carboximidamide
CID 175896938
N'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
CID 43187791
N'-hydroxy-3-(3-hydroxybutan-2-ylsulfanyl)pyridazine-4-carboximidamide
CID 136829666
2-bromo-5-[(3-bromo-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
CID 64623517
2-(2,4-difluorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide
CID 43167561
2-(2,5-dimethylphenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide
CID 43187799
N'-hydroxy-2-(3-methoxyphenyl)sulfanylpyridine-3-carboximidamide
CID 43187698

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-2-pyridinyl)sulfanyl]-N'-hydroxypyridazine-4-carboximidamide?
The IUPAC name of 3-[(3-bromo-2-pyridinyl)sulfanyl]-N'-hydroxypyridazine-4-carboximidamide (CID 175897067) is 3-[(3-bromo-2-pyridinyl)sulfanyl]-N'-hydroxypyridazine-4-carboximidamide.
What is the SMILES notation for 3-[(3-bromo-2-pyridinyl)sulfanyl]-N'-hydroxypyridazine-4-carboximidamide?
The canonical SMILES for 3-[(3-bromo-2-pyridinyl)sulfanyl]-N'-hydroxypyridazine-4-carboximidamide is NC(=NO)c1ccnnc1Sc1ncccc1Br.
What is the InChIKey of 3-[(3-bromo-2-pyridinyl)sulfanyl]-N'-hydroxypyridazine-4-carboximidamide?
The InChIKey is IDMOWJUJPUKZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN5OS/c11-7-2-1-4-13-10(7)18-9-6(8(12)16-17)3-5-14-15-9/h1-5,17H,(H2,12,16).
What are the key properties of 3-[(3-bromo-2-pyridinyl)sulfanyl]-N'-hydroxypyridazine-4-carboximidamide?
3-[(3-bromo-2-pyridinyl)sulfanyl]-N'-hydroxypyridazine-4-carboximidamide has a molecular weight of 326.18 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-2-pyridinyl)sulfanyl]-N'-hydroxypyridazine-4-carboximidamide is sourced from PubChem (CID 175897067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).