2-bromo-6-[(5-chloro-2-pyridinyl)sulfanyl]-N'-hydroxybenzenecarboximidamide

C12H9BrClN3OS — CID 114884333

IUPAC2-bromo-6-[(5-chloro-2-pyridinyl)sulfanyl]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1c(Br)cccc1Sc1ccc(Cl)cn1
InChIInChI=1S/C12H9BrClN3OS/c13-8-2-1-3-9(11(8)12(15)17-18)19-10-5-4-7(14)6-16-10/h1-6,18H,(H2,15,17)
InChIKeyOAUVERPBEVBOOL-UHFFFAOYSA-N
MW358.65 g/mol
LogP3.74
Rot. Bonds3

About 2-bromo-6-[(5-chloro-2-pyridinyl)sulfanyl]-N'-hydroxybenzenecarboximidamide

2-bromo-6-[(5-chloro-2-pyridinyl)sulfanyl]-N'-hydroxybenzenecarboximidamide (PubChem CID 114884333) has the molecular formula C12H9BrClN3OS and a molecular weight of 358.65 g/mol. Its IUPAC name is 2-bromo-6-[(5-chloro-2-pyridinyl)sulfanyl]-N'-hydroxybenzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-6-[(5-chloro-2-pyridinyl)sulfanyl]-N'-hydroxybenzenecarboximidamide
PubChem CID114884333
Molecular FormulaC12H9BrClN3OS
Molecular Weight358.65 g/mol
Exact Mass356.93
IUPAC Name2-bromo-6-[(5-chloro-2-pyridinyl)sulfanyl]-N'-hydroxybenzenecarboximidamide
SMILESN/C(=N/O)c1c(Br)cccc1Sc1ccc(Cl)cn1
InChIInChI=1S/C12H9BrClN3OS/c13-8-2-1-3-9(11(8)12(15)17-18)19-10-5-4-7(14)6-16-10/h1-6,18H,(H2,15,17)
InChIKeyOAUVERPBEVBOOL-UHFFFAOYSA-N
XLogP3.74
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.65
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-bromo-6-(3-chlorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 114884313
2-bromo-N'-hydroxy-6-phenylsulfanylbenzenecarboximidamide
CID 114884262
2-bromo-6-(3,4-difluorophenyl)sulfanyl-N'-hydroxybenzenecarboximidamide
CID 114884290
2-[(5-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-3-methylbenzenecarboximidamide
CID 107110958
2-bromo-N'-hydroxy-6-(1-methylpyrazol-4-yl)sulfanylbenzenecarboximidamide
CID 114884308
5-chloro-2-(2-chlorophenyl)sulfanylpyridine
CID 66218398
5-bromo-2-(2,4-dichlorophenyl)sulfanylpyridine
CID 163687484
2-(2,5-difluorophenyl)sulfanyl-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 79522371
6-[(5-chloro-2-pyridinyl)sulfanyl]pyridin-2-amine
CID 80653451
4-[(5-chloro-2-pyridinyl)sulfanyl]quinolin-8-amine
CID 83060634
6-(3,4-dichlorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide
CID 77070116
2-[(3-bromo-2-pyridinyl)sulfanyl]-3-chloro-N'-hydroxypyridine-4-carboximidamide
CID 136739874

Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-[(5-chloro-2-pyridinyl)sulfanyl]-N'-hydroxybenzenecarboximidamide?
The IUPAC name of 2-bromo-6-[(5-chloro-2-pyridinyl)sulfanyl]-N'-hydroxybenzenecarboximidamide (CID 114884333) is 2-bromo-6-[(5-chloro-2-pyridinyl)sulfanyl]-N'-hydroxybenzenecarboximidamide.
What is the SMILES notation for 2-bromo-6-[(5-chloro-2-pyridinyl)sulfanyl]-N'-hydroxybenzenecarboximidamide?
The canonical SMILES for 2-bromo-6-[(5-chloro-2-pyridinyl)sulfanyl]-N'-hydroxybenzenecarboximidamide is N/C(=N/O)c1c(Br)cccc1Sc1ccc(Cl)cn1.
What is the InChIKey of 2-bromo-6-[(5-chloro-2-pyridinyl)sulfanyl]-N'-hydroxybenzenecarboximidamide?
The InChIKey is OAUVERPBEVBOOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrClN3OS/c13-8-2-1-3-9(11(8)12(15)17-18)19-10-5-4-7(14)6-16-10/h1-6,18H,(H2,15,17).
What are the key properties of 2-bromo-6-[(5-chloro-2-pyridinyl)sulfanyl]-N'-hydroxybenzenecarboximidamide?
2-bromo-6-[(5-chloro-2-pyridinyl)sulfanyl]-N'-hydroxybenzenecarboximidamide has a molecular weight of 358.65 g/mol, XLogP of 3.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-[(5-chloro-2-pyridinyl)sulfanyl]-N'-hydroxybenzenecarboximidamide is sourced from PubChem (CID 114884333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).