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

C11H8BrClN4OS — CID 136739874

IUPAC2-[(3-bromo-2-pyridinyl)sulfanyl]-3-chloro-N'-hydroxypyridine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(Sc2ncccc2Br)c1Cl
InChIInChI=1S/C11H8BrClN4OS/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)
InChIKeyHHSHRIPGDSEHAY-UHFFFAOYSA-N
MW359.64 g/mol
LogP3.14
Rot. Bonds3

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

2-[(3-bromo-2-pyridinyl)sulfanyl]-3-chloro-N'-hydroxypyridine-4-carboximidamide (PubChem CID 136739874) has the molecular formula C11H8BrClN4OS and a molecular weight of 359.64 g/mol. Its IUPAC name is 2-[(3-bromo-2-pyridinyl)sulfanyl]-3-chloro-N'-hydroxypyridine-4-carboximidamide.

Molecular Properties

Compound Name2-[(3-bromo-2-pyridinyl)sulfanyl]-3-chloro-N'-hydroxypyridine-4-carboximidamide
PubChem CID136739874
Molecular FormulaC11H8BrClN4OS
Molecular Weight359.64 g/mol
Exact Mass357.93
IUPAC Name2-[(3-bromo-2-pyridinyl)sulfanyl]-3-chloro-N'-hydroxypyridine-4-carboximidamide
SMILESN/C(=N/O)c1ccnc(Sc2ncccc2Br)c1Cl
InChIInChI=1S/C11H8BrClN4OS/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)
InChIKeyHHSHRIPGDSEHAY-UHFFFAOYSA-N
XLogP3.14
TPSA84.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.64
LogP ≤ 53.14
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

3-chloro-2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxypyridine-4-carboximidamide
CID 136739877
3-[(3-bromo-2-pyridinyl)sulfanyl]-N'-hydroxypyridazine-4-carboximidamide
CID 175897067
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
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-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N'-hydroxypyridine-4-carboximidamide
CID 136739865
2-(3-bromophenoxy)-3-chloro-N'-hydroxypyridine-4-carboximidamide
CID 136739624
2-bromo-5-[(3-bromo-2-pyridinyl)sulfanyl]-1,3,4-thiadiazole
CID 64623517
2-[(3-bromo-2-pyridinyl)sulfanyl]-3,5,6-trichloropyridine
CID 102752375
N'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
CID 43187791
2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 77037128

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromo-2-pyridinyl)sulfanyl]-3-chloro-N'-hydroxypyridine-4-carboximidamide?
The IUPAC name of 2-[(3-bromo-2-pyridinyl)sulfanyl]-3-chloro-N'-hydroxypyridine-4-carboximidamide (CID 136739874) is 2-[(3-bromo-2-pyridinyl)sulfanyl]-3-chloro-N'-hydroxypyridine-4-carboximidamide.
What is the SMILES notation for 2-[(3-bromo-2-pyridinyl)sulfanyl]-3-chloro-N'-hydroxypyridine-4-carboximidamide?
The canonical SMILES for 2-[(3-bromo-2-pyridinyl)sulfanyl]-3-chloro-N'-hydroxypyridine-4-carboximidamide is N/C(=N/O)c1ccnc(Sc2ncccc2Br)c1Cl.
What is the InChIKey of 2-[(3-bromo-2-pyridinyl)sulfanyl]-3-chloro-N'-hydroxypyridine-4-carboximidamide?
The InChIKey is HHSHRIPGDSEHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClN4OS/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 2-[(3-bromo-2-pyridinyl)sulfanyl]-3-chloro-N'-hydroxypyridine-4-carboximidamide?
2-[(3-bromo-2-pyridinyl)sulfanyl]-3-chloro-N'-hydroxypyridine-4-carboximidamide has a molecular weight of 359.64 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromo-2-pyridinyl)sulfanyl]-3-chloro-N'-hydroxypyridine-4-carboximidamide is sourced from PubChem (CID 136739874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).