2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-5-nitropyridine-3-carboximidamide

C11H8ClN5O3S — CID 77037128

IUPAC2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-5-nitropyridine-3-carboximidamide
SMILESNC(=NO)c1cc([N+](=O)[O-])cnc1Sc1ncccc1Cl
InChIInChI=1S/C11H8ClN5O3S/c12-8-2-1-3-14-11(8)21-10-7(9(13)16-18)4-6(5-15-10)17(19)20/h1-5,18H,(H2,13,16)
InChIKeyDYUIYWOSEZFHCP-UHFFFAOYSA-N
MW325.74 g/mol
LogP2.28
Rot. Bonds4

About 2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-5-nitropyridine-3-carboximidamide

2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-5-nitropyridine-3-carboximidamide (PubChem CID 77037128) has the molecular formula C11H8ClN5O3S and a molecular weight of 325.74 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-5-nitropyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-5-nitropyridine-3-carboximidamide
PubChem CID77037128
Molecular FormulaC11H8ClN5O3S
Molecular Weight325.74 g/mol
Exact Mass325.00
IUPAC Name2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-5-nitropyridine-3-carboximidamide
SMILESNC(=NO)c1cc([N+](=O)[O-])cnc1Sc1ncccc1Cl
InChIInChI=1S/C11H8ClN5O3S/c12-8-2-1-3-14-11(8)21-10-7(9(13)16-18)4-6(5-15-10)17(19)20/h1-5,18H,(H2,13,16)
InChIKeyDYUIYWOSEZFHCP-UHFFFAOYSA-N
XLogP2.28
TPSA127.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.74
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

Analyze 2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-5-nitropyridine-3-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-5-nitropyridine-3-carboximidamide?
The IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-5-nitropyridine-3-carboximidamide (CID 77037128) is 2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-5-nitropyridine-3-carboximidamide.
What is the SMILES notation for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-5-nitropyridine-3-carboximidamide?
The canonical SMILES for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-5-nitropyridine-3-carboximidamide is NC(=NO)c1cc([N+](=O)[O-])cnc1Sc1ncccc1Cl.
What is the InChIKey of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-5-nitropyridine-3-carboximidamide?
The InChIKey is DYUIYWOSEZFHCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5O3S/c12-8-2-1-3-14-11(8)21-10-7(9(13)16-18)4-6(5-15-10)17(19)20/h1-5,18H,(H2,13,16).
What are the key properties of 2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-5-nitropyridine-3-carboximidamide?
2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-5-nitropyridine-3-carboximidamide has a molecular weight of 325.74 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-pyridinyl)sulfanyl]-N'-hydroxy-5-nitropyridine-3-carboximidamide is sourced from PubChem (CID 77037128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).