[6-(3-chlorophenyl)sulfanyl-5-nitro-2-pyridinyl]hydrazine

C11H9ClN4O2S — CID 80923607

IUPAC[6-(3-chlorophenyl)sulfanyl-5-nitro-2-pyridinyl]hydrazine
SMILESNNc1ccc([N+](=O)[O-])c(Sc2cccc(Cl)c2)n1
InChIInChI=1S/C11H9ClN4O2S/c12-7-2-1-3-8(6-7)19-11-9(16(17)18)4-5-10(14-11)15-13/h1-6H,13H2,(H,14,15)
InChIKeySFXYWYRMYZKIIJ-UHFFFAOYSA-N
MW296.74 g/mol
LogP3.08
Rot. Bonds4

About [6-(3-chlorophenyl)sulfanyl-5-nitro-2-pyridinyl]hydrazine

[6-(3-chlorophenyl)sulfanyl-5-nitro-2-pyridinyl]hydrazine (PubChem CID 80923607) has the molecular formula C11H9ClN4O2S and a molecular weight of 296.74 g/mol. Its IUPAC name is [6-(3-chlorophenyl)sulfanyl-5-nitro-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-(3-chlorophenyl)sulfanyl-5-nitro-2-pyridinyl]hydrazine
PubChem CID80923607
Molecular FormulaC11H9ClN4O2S
Molecular Weight296.74 g/mol
Exact Mass296.01
IUPAC Name[6-(3-chlorophenyl)sulfanyl-5-nitro-2-pyridinyl]hydrazine
SMILESNNc1ccc([N+](=O)[O-])c(Sc2cccc(Cl)c2)n1
InChIInChI=1S/C11H9ClN4O2S/c12-7-2-1-3-8(6-7)19-11-9(16(17)18)4-5-10(14-11)15-13/h1-6H,13H2,(H,14,15)
InChIKeySFXYWYRMYZKIIJ-UHFFFAOYSA-N
XLogP3.08
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.74
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

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Related Compounds

5-(3-chlorophenyl)sulfanyl-2-nitroaniline
CID 106752211
N-[(3-chlorophenyl)methyl]-6-hydrazinyl-3-nitropyridin-2-amine
CID 80919615
(5-nitro-6-thiophen-2-ylsulfanyl-2-pyridinyl)hydrazine
CID 80924380
(5-nitro-6-propylsulfanyl-2-pyridinyl)hydrazine
CID 80924423
2-(3-chlorophenyl)sulfanyl-3-nitrobenzoic acid
CID 115932593
[6-(4-chlorophenoxy)-5-nitro-2-pyridinyl]hydrazine
CID 80915190
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)sulfanyl]-4-methyl-1H-1,2,4-triazol-5-one
CID 80929026
N-(2,3-dichlorophenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 80916589
3-[(6-hydrazinyl-3-nitro-2-pyridinyl)sulfanyl]propane-1,2-diol
CID 80926673
4-chloro-2-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]benzonitrile
CID 80908944
3-(3-chlorophenyl)sulfanyl-5-nitroaniline
CID 80891991
N-(5-chloro-2-methoxyphenyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 80912402

Frequently Asked Questions

What is the IUPAC name of [6-(3-chlorophenyl)sulfanyl-5-nitro-2-pyridinyl]hydrazine?
The IUPAC name of [6-(3-chlorophenyl)sulfanyl-5-nitro-2-pyridinyl]hydrazine (CID 80923607) is [6-(3-chlorophenyl)sulfanyl-5-nitro-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-(3-chlorophenyl)sulfanyl-5-nitro-2-pyridinyl]hydrazine?
The canonical SMILES for [6-(3-chlorophenyl)sulfanyl-5-nitro-2-pyridinyl]hydrazine is NNc1ccc([N+](=O)[O-])c(Sc2cccc(Cl)c2)n1.
What is the InChIKey of [6-(3-chlorophenyl)sulfanyl-5-nitro-2-pyridinyl]hydrazine?
The InChIKey is SFXYWYRMYZKIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2S/c12-7-2-1-3-8(6-7)19-11-9(16(17)18)4-5-10(14-11)15-13/h1-6H,13H2,(H,14,15).
What are the key properties of [6-(3-chlorophenyl)sulfanyl-5-nitro-2-pyridinyl]hydrazine?
[6-(3-chlorophenyl)sulfanyl-5-nitro-2-pyridinyl]hydrazine has a molecular weight of 296.74 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(3-chlorophenyl)sulfanyl-5-nitro-2-pyridinyl]hydrazine is sourced from PubChem (CID 80923607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).