[2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-6-nitrophenyl]hydrazine

C12H11BrN4O2S — CID 107353493

IUPAC[2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-6-nitrophenyl]hydrazine
SMILESNNc1c(CSc2ncccc2Br)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H11BrN4O2S/c13-9-4-2-6-15-12(9)20-7-8-3-1-5-10(17(18)19)11(8)16-14/h1-6,16H,7,14H2
InChIKeyLWVHPSBDZKYLTI-UHFFFAOYSA-N
MW355.22 g/mol
LogP3.33
Rot. Bonds5

About [2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-6-nitrophenyl]hydrazine

[2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-6-nitrophenyl]hydrazine (PubChem CID 107353493) has the molecular formula C12H11BrN4O2S and a molecular weight of 355.22 g/mol. Its IUPAC name is [2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-6-nitrophenyl]hydrazine.

Molecular Properties

Compound Name[2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-6-nitrophenyl]hydrazine
PubChem CID107353493
Molecular FormulaC12H11BrN4O2S
Molecular Weight355.22 g/mol
Exact Mass353.98
IUPAC Name[2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-6-nitrophenyl]hydrazine
SMILESNNc1c(CSc2ncccc2Br)cccc1[N+](=O)[O-]
InChIInChI=1S/C12H11BrN4O2S/c13-9-4-2-6-15-12(9)20-7-8-3-1-5-10(17(18)19)11(8)16-14/h1-6,16H,7,14H2
InChIKeyLWVHPSBDZKYLTI-UHFFFAOYSA-N
XLogP3.33
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.22
LogP ≤ 53.33
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-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-6-nitrophenyl]hydrazine
CID 107353512
[2-(bromomethyl)-6-nitrophenyl]hydrazine
CID 118855249
[2-[(2,5-difluorophenyl)sulfanylmethyl]-6-nitrophenyl]hydrazine
CID 107353455
[2-[(2,5-dichlorophenyl)sulfanylmethyl]-6-nitrophenyl]hydrazine
CID 107353432
2-[(2-chlorophenyl)methylsulfanyl]-3-nitropyridine
CID 133273785
2-[(3-chloro-2-pyridinyl)sulfanylmethyl]-6-nitrobenzoic acid
CID 104825249
[2-nitro-6-(phenoxymethyl)phenyl]hydrazine
CID 107353309
1-(2-hydrazinyl-3-nitrophenyl)-N,N-dimethylmethanamine
CID 107353006
[2-[(2-bromo-5-fluorophenoxy)methyl]-6-nitrophenyl]hydrazine
CID 107353395
[2-[(2-bromo-4-fluorophenoxy)methyl]-6-nitrophenyl]hydrazine
CID 107353292
3-[(2-hydrazinyl-3-nitrophenyl)methylsulfanyl]butan-1-ol
CID 107353498
2-[(4-bromo-3-nitrophenyl)methylsulfanyl]-3-chloropyridine
CID 115558295

Frequently Asked Questions

What is the IUPAC name of [2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-6-nitrophenyl]hydrazine?
The IUPAC name of [2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-6-nitrophenyl]hydrazine (CID 107353493) is [2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-6-nitrophenyl]hydrazine.
What is the SMILES notation for [2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-6-nitrophenyl]hydrazine?
The canonical SMILES for [2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-6-nitrophenyl]hydrazine is NNc1c(CSc2ncccc2Br)cccc1[N+](=O)[O-].
What is the InChIKey of [2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-6-nitrophenyl]hydrazine?
The InChIKey is LWVHPSBDZKYLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN4O2S/c13-9-4-2-6-15-12(9)20-7-8-3-1-5-10(17(18)19)11(8)16-14/h1-6,16H,7,14H2.
What are the key properties of [2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-6-nitrophenyl]hydrazine?
[2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-6-nitrophenyl]hydrazine has a molecular weight of 355.22 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(3-bromo-2-pyridinyl)sulfanylmethyl]-6-nitrophenyl]hydrazine is sourced from PubChem (CID 107353493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).