3-[(6-hydrazinyl-3-nitro-2-pyridinyl)sulfanyl]propane-1,2-diol

C8H12N4O4S — CID 80926673

IUPAC3-[(6-hydrazinyl-3-nitro-2-pyridinyl)sulfanyl]propane-1,2-diol
SMILESNNc1ccc([N+](=O)[O-])c(SCC(O)CO)n1
InChIInChI=1S/C8H12N4O4S/c9-11-7-2-1-6(12(15)16)8(10-7)17-4-5(14)3-13/h1-2,5,13-14H,3-4,9H2,(H,10,11)
InChIKeyXBNPPNIJQAXIPB-UHFFFAOYSA-N
MW260.27 g/mol
LogP-0.28
Rot. Bonds6

About 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)sulfanyl]propane-1,2-diol

3-[(6-hydrazinyl-3-nitro-2-pyridinyl)sulfanyl]propane-1,2-diol (PubChem CID 80926673) has the molecular formula C8H12N4O4S and a molecular weight of 260.27 g/mol. Its IUPAC name is 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)sulfanyl]propane-1,2-diol.

Molecular Properties

Compound Name3-[(6-hydrazinyl-3-nitro-2-pyridinyl)sulfanyl]propane-1,2-diol
PubChem CID80926673
Molecular FormulaC8H12N4O4S
Molecular Weight260.27 g/mol
Exact Mass260.06
IUPAC Name3-[(6-hydrazinyl-3-nitro-2-pyridinyl)sulfanyl]propane-1,2-diol
SMILESNNc1ccc([N+](=O)[O-])c(SCC(O)CO)n1
InChIInChI=1S/C8H12N4O4S/c9-11-7-2-1-6(12(15)16)8(10-7)17-4-5(14)3-13/h1-2,5,13-14H,3-4,9H2,(H,10,11)
InChIKeyXBNPPNIJQAXIPB-UHFFFAOYSA-N
XLogP-0.28
TPSA134.54 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.27
LogP ≤ 5-0.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)sulfanyl]propane-1,2-diol with MolForge

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Related Compounds

(5-nitro-6-propylsulfanyl-2-pyridinyl)hydrazine
CID 80924423
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propane-1,2-diol
CID 80922216
3-[(6-amino-5-nitro-2-pyridinyl)sulfanyl]propane-1,2-diol
CID 79815553
3-[(6-amino-3-nitro-2-pyridinyl)sulfanyl]-2-methylpropan-1-ol
CID 80891363
(5-nitro-6-thiophen-2-ylsulfanyl-2-pyridinyl)hydrazine
CID 80924380
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)-(2-hydroxyethyl)amino]ethanol
CID 80898902
2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-3-methoxypropan-1-ol
CID 106198965
1-cyclopropyl-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]ethanol
CID 80913877
[6-(3-chlorophenyl)sulfanyl-5-nitro-2-pyridinyl]hydrazine
CID 80923607
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]propan-1-ol
CID 80943307
3-(5-nitroquinolin-8-yl)sulfanylpropane-1,2-diol
CID 79683275
3-[(2-methyl-5-nitro-1H-imidazol-4-yl)sulfanyl]propane-1,2-diol
CID 3100200

Frequently Asked Questions

What is the IUPAC name of 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)sulfanyl]propane-1,2-diol?
The IUPAC name of 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)sulfanyl]propane-1,2-diol (CID 80926673) is 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)sulfanyl]propane-1,2-diol.
What is the SMILES notation for 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)sulfanyl]propane-1,2-diol?
The canonical SMILES for 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)sulfanyl]propane-1,2-diol is NNc1ccc([N+](=O)[O-])c(SCC(O)CO)n1.
What is the InChIKey of 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)sulfanyl]propane-1,2-diol?
The InChIKey is XBNPPNIJQAXIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O4S/c9-11-7-2-1-6(12(15)16)8(10-7)17-4-5(14)3-13/h1-2,5,13-14H,3-4,9H2,(H,10,11).
What are the key properties of 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)sulfanyl]propane-1,2-diol?
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)sulfanyl]propane-1,2-diol has a molecular weight of 260.27 g/mol, XLogP of -0.28, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(6-hydrazinyl-3-nitro-2-pyridinyl)sulfanyl]propane-1,2-diol is sourced from PubChem (CID 80926673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).