6-(4-fluorophenyl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide

C12H9FN4O3S — CID 103471009

IUPAC6-(4-fluorophenyl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide
SMILESN/C(=N/O)c1cnc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H9FN4O3S/c13-8-1-3-9(4-2-8)21-12-10(17(19)20)5-7(6-15-12)11(14)16-18/h1-6,18H,(H2,14,16)
InChIKeyFFEKOZPASZJDDN-UHFFFAOYSA-N
MW308.29 g/mol
LogP2.37
Rot. Bonds4

About 6-(4-fluorophenyl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide

6-(4-fluorophenyl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide (PubChem CID 103471009) has the molecular formula C12H9FN4O3S and a molecular weight of 308.29 g/mol. Its IUPAC name is 6-(4-fluorophenyl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(4-fluorophenyl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide
PubChem CID103471009
Molecular FormulaC12H9FN4O3S
Molecular Weight308.29 g/mol
Exact Mass308.04
IUPAC Name6-(4-fluorophenyl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide
SMILESN/C(=N/O)c1cnc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1
InChIInChI=1S/C12H9FN4O3S/c13-8-1-3-9(4-2-8)21-12-10(17(19)20)5-7(6-15-12)11(14)16-18/h1-6,18H,(H2,14,16)
InChIKeyFFEKOZPASZJDDN-UHFFFAOYSA-N
XLogP2.37
TPSA114.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 52.37
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': 'nitro_group', '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

N'-hydroxy-5-nitro-6-pyridin-2-ylsulfanylpyridine-3-carboximidamide
CID 103471011
N'-hydroxy-5-nitro-6-(1,3-oxazol-2-ylsulfanyl)pyridine-3-carboximidamide
CID 106922582
6-(2,5-dimethylpyrazol-3-yl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103471063
5-nitro-6-pyridin-4-ylsulfanylpyridine-3-carboxylic acid
CID 81440204
6-(2,5-difluorophenyl)sulfanyl-5-nitropyridine-3-carboxylic acid
CID 81447801
N'-hydroxy-6-(2-methyloxolan-3-yl)sulfanyl-5-nitropyridine-3-carboximidamide
CID 107749603
methyl 6-(4-chlorophenyl)sulfanyl-5-nitropyridine-3-carboxylate
CID 2746870
N'-hydroxy-5-nitro-6-(2,2,2-trifluoroethoxy)pyridine-3-carboximidamide
CID 103470634
4-[(5-bromo-3-nitro-2-pyridinyl)sulfanyl]phenol
CID 61227488
6-(2-bromophenoxy)-N'-hydroxy-5-nitropyridine-3-carboximidamide
CID 103470626
N'-hydroxy-6-[(2-methyl-3-pyridinyl)oxy]-5-nitropyridine-3-carboximidamide
CID 103470739
3-fluoro-N'-hydroxy-4-(4-nitrophenyl)sulfanylbenzenecarboximidamide
CID 43658551

Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide?
The IUPAC name of 6-(4-fluorophenyl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide (CID 103471009) is 6-(4-fluorophenyl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide.
What is the SMILES notation for 6-(4-fluorophenyl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide?
The canonical SMILES for 6-(4-fluorophenyl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide is N/C(=N/O)c1cnc(Sc2ccc(F)cc2)c([N+](=O)[O-])c1.
What is the InChIKey of 6-(4-fluorophenyl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide?
The InChIKey is FFEKOZPASZJDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN4O3S/c13-8-1-3-9(4-2-8)21-12-10(17(19)20)5-7(6-15-12)11(14)16-18/h1-6,18H,(H2,14,16).
What are the key properties of 6-(4-fluorophenyl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide?
6-(4-fluorophenyl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide has a molecular weight of 308.29 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)sulfanyl-N'-hydroxy-5-nitropyridine-3-carboximidamide is sourced from PubChem (CID 103471009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).