[2-[(4-nitrophenyl)sulfanylmethyl]-4-pyridinyl]hydrazine

C12H12N4O2S — CID 79259218

IUPAC[2-[(4-nitrophenyl)sulfanylmethyl]-4-pyridinyl]hydrazine
SMILESNNc1ccnc(CSc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C12H12N4O2S/c13-15-9-5-6-14-10(7-9)8-19-12-3-1-11(2-4-12)16(17)18/h1-7H,8,13H2,(H,14,15)
InChIKeyCGWXDUHNPBSPBT-UHFFFAOYSA-N
MW276.32 g/mol
LogP2.57
Rot. Bonds5

About [2-[(4-nitrophenyl)sulfanylmethyl]-4-pyridinyl]hydrazine

[2-[(4-nitrophenyl)sulfanylmethyl]-4-pyridinyl]hydrazine (PubChem CID 79259218) has the molecular formula C12H12N4O2S and a molecular weight of 276.32 g/mol. Its IUPAC name is [2-[(4-nitrophenyl)sulfanylmethyl]-4-pyridinyl]hydrazine.

Molecular Properties

Compound Name[2-[(4-nitrophenyl)sulfanylmethyl]-4-pyridinyl]hydrazine
PubChem CID79259218
Molecular FormulaC12H12N4O2S
Molecular Weight276.32 g/mol
Exact Mass276.07
IUPAC Name[2-[(4-nitrophenyl)sulfanylmethyl]-4-pyridinyl]hydrazine
SMILESNNc1ccnc(CSc2ccc([N+](=O)[O-])cc2)c1
InChIInChI=1S/C12H12N4O2S/c13-15-9-5-6-14-10(7-9)8-19-12-3-1-11(2-4-12)16(17)18/h1-7H,8,13H2,(H,14,15)
InChIKeyCGWXDUHNPBSPBT-UHFFFAOYSA-N
XLogP2.57
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 52.57
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

[2-[(4-methylphenyl)sulfanylmethyl]-4-pyridinyl]hydrazine
CID 79259768
[2-[(4-nitrophenoxy)methyl]-4-pyridinyl]hydrazine
CID 79260394
6-[(4-nitrophenyl)sulfanylmethyl]pyridin-2-amine
CID 79239480
6-[(4-nitrophenyl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909631
[2-[(4-nitroimidazol-1-yl)methyl]-4-pyridinyl]hydrazine
CID 79259377
[2-[(2-nitrophenoxy)methyl]-4-pyridinyl]hydrazine
CID 79259014
4-hydrazinyl-N-methyl-N-(4-nitrophenyl)pyridine-2-carboxamide
CID 62243091
1,3-dimethyl-5-[(4-nitrophenyl)sulfanylmethyl]benzene
CID 69420545
2-(4-nitrophenyl)sulfanylacetate
CID 6949291
[2-[(2,4-dimethyl-6-nitrophenoxy)methyl]-4-pyridinyl]hydrazine
CID 79262177
2-[(3,4-dimethylphenyl)sulfanylmethyl]-N-methylpyridin-4-amine
CID 79259613
7-methyl-2-[(4-nitrophenyl)sulfanylmethyl]imidazo[1,2-a]pyridine
CID 54457383

Frequently Asked Questions

What is the IUPAC name of [2-[(4-nitrophenyl)sulfanylmethyl]-4-pyridinyl]hydrazine?
The IUPAC name of [2-[(4-nitrophenyl)sulfanylmethyl]-4-pyridinyl]hydrazine (CID 79259218) is [2-[(4-nitrophenyl)sulfanylmethyl]-4-pyridinyl]hydrazine.
What is the SMILES notation for [2-[(4-nitrophenyl)sulfanylmethyl]-4-pyridinyl]hydrazine?
The canonical SMILES for [2-[(4-nitrophenyl)sulfanylmethyl]-4-pyridinyl]hydrazine is NNc1ccnc(CSc2ccc([N+](=O)[O-])cc2)c1.
What is the InChIKey of [2-[(4-nitrophenyl)sulfanylmethyl]-4-pyridinyl]hydrazine?
The InChIKey is CGWXDUHNPBSPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2S/c13-15-9-5-6-14-10(7-9)8-19-12-3-1-11(2-4-12)16(17)18/h1-7H,8,13H2,(H,14,15).
What are the key properties of [2-[(4-nitrophenyl)sulfanylmethyl]-4-pyridinyl]hydrazine?
[2-[(4-nitrophenyl)sulfanylmethyl]-4-pyridinyl]hydrazine has a molecular weight of 276.32 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-nitrophenyl)sulfanylmethyl]-4-pyridinyl]hydrazine is sourced from PubChem (CID 79259218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).