2-(2,4-difluorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide

C12H9F2N3OS — CID 43167561

IUPAC2-(2,4-difluorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide
SMILESN/C(=N\O)c1cccnc1Sc1ccc(F)cc1F
InChIInChI=1S/C12H9F2N3OS/c13-7-3-4-10(9(14)6-7)19-12-8(11(15)17-18)2-1-5-16-12/h1-6,18H,(H2,15,17)
InChIKeyRYVAGDVFDGDDCL-UHFFFAOYSA-N
MW281.29 g/mol
LogP2.61
Rot. Bonds3

About 2-(2,4-difluorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide

2-(2,4-difluorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide (PubChem CID 43167561) has the molecular formula C12H9F2N3OS and a molecular weight of 281.29 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide
PubChem CID43167561
Molecular FormulaC12H9F2N3OS
Molecular Weight281.29 g/mol
Exact Mass281.04
IUPAC Name2-(2,4-difluorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide
SMILESN/C(=N\O)c1cccnc1Sc1ccc(F)cc1F
InChIInChI=1S/C12H9F2N3OS/c13-7-3-4-10(9(14)6-7)19-12-8(11(15)17-18)2-1-5-16-12/h1-6,18H,(H2,15,17)
InChIKeyRYVAGDVFDGDDCL-UHFFFAOYSA-N
XLogP2.61
TPSA71.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.29
LogP ≤ 52.61
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-(2,4-difluorophenyl)sulfanyl-N'-hydroxy-6-methylpyridine-3-carboximidamide
CID 76916377
2-(2,5-dimethylphenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide
CID 43187799
4-[(3-chloro-2-pyridinyl)sulfanyl]-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 77024995
N'-hydroxy-2-methylsulfanylpyridine-3-carboximidamide
CID 76889740
[2-(2,4-difluorophenyl)sulfanyl-3-pyridinyl]methanamine
CID 43528725
4-(2,4-difluorophenyl)sulfanyl-3-fluoro-N'-hydroxybenzenecarboximidamide
CID 43658549
N'-hydroxy-2-(1,3,4-thiadiazol-2-ylsulfanyl)pyridine-3-carboximidamide
CID 43187786
N'-hydroxy-2-(3-methoxyphenyl)sulfanylpyridine-3-carboximidamide
CID 43187698
2-[(3-chloro-2-pyridinyl)sulfanylmethyl]-5-fluoro-N'-hydroxybenzenecarboximidamide
CID 77037069
N'-hydroxy-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]pyridine-3-carboximidamide
CID 43187791
3-chloro-2-(3-fluorophenyl)sulfanyl-N'-hydroxypyridine-4-carboximidamide
CID 136739884
3-[(3-bromo-2-pyridinyl)sulfanyl]-N'-hydroxypyridazine-4-carboximidamide
CID 175897067

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide?
The IUPAC name of 2-(2,4-difluorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide (CID 43167561) is 2-(2,4-difluorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide?
The canonical SMILES for 2-(2,4-difluorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide is N/C(=N\O)c1cccnc1Sc1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide?
The InChIKey is RYVAGDVFDGDDCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2N3OS/c13-7-3-4-10(9(14)6-7)19-12-8(11(15)17-18)2-1-5-16-12/h1-6,18H,(H2,15,17).
What are the key properties of 2-(2,4-difluorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide?
2-(2,4-difluorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide has a molecular weight of 281.29 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)sulfanyl-N'-hydroxypyridine-3-carboximidamide is sourced from PubChem (CID 43167561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).