1-phenyl-2-[6-(tribromomethylsulfonyl)-3-pyridinyl]hydrazine

C12H10Br3N3O2S — CID 23535147

IUPAC1-phenyl-2-[6-(tribromomethylsulfonyl)-3-pyridinyl]hydrazine
SMILESO=S(=O)(c1ccc(NNc2ccccc2)cn1)C(Br)(Br)Br
InChIInChI=1S/C12H10Br3N3O2S/c13-12(14,15)21(19,20)11-7-6-10(8-16-11)18-17-9-4-2-1-3-5-9/h1-8,17-18H
InChIKeyKCSLOYBPHIHWAK-UHFFFAOYSA-N
MW500.01 g/mol
LogP4.09
Rot. Bonds4

About 1-phenyl-2-[6-(tribromomethylsulfonyl)-3-pyridinyl]hydrazine

1-phenyl-2-[6-(tribromomethylsulfonyl)-3-pyridinyl]hydrazine (PubChem CID 23535147) has the molecular formula C12H10Br3N3O2S and a molecular weight of 500.01 g/mol. Its IUPAC name is 1-phenyl-2-[6-(tribromomethylsulfonyl)-3-pyridinyl]hydrazine.

Molecular Properties

Compound Name1-phenyl-2-[6-(tribromomethylsulfonyl)-3-pyridinyl]hydrazine
PubChem CID23535147
Molecular FormulaC12H10Br3N3O2S
Molecular Weight500.01 g/mol
Exact Mass496.80
IUPAC Name1-phenyl-2-[6-(tribromomethylsulfonyl)-3-pyridinyl]hydrazine
SMILESO=S(=O)(c1ccc(NNc2ccccc2)cn1)C(Br)(Br)Br
InChIInChI=1S/C12H10Br3N3O2S/c13-12(14,15)21(19,20)11-7-6-10(8-16-11)18-17-9-4-2-1-3-5-9/h1-8,17-18H
InChIKeyKCSLOYBPHIHWAK-UHFFFAOYSA-N
XLogP4.09
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.01
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-methyl-2-(tribromomethylsulfonyl)pyridine
CID 22892605
2-(tribromomethylsulfonyl)pyridine
CID 159318212
1-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-3-phenylpropan-2-ol
CID 133378988
6-tert-butylsulfonyl-N-[(1-phenylpyrazol-3-yl)methyl]pyridin-3-amine
CID 133359933
1-phenyl-2-[4-(2-phenylhydrazinyl)phenyl]hydrazine
CID 169215100
3-[(6-tert-butylsulfonyl-3-pyridinyl)amino]propanoic acid
CID 122048213
6-tert-butylsulfonyl-N-[(3-methylphenyl)methyl]pyridin-3-amine
CID 133373480
3-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-1-phenylbutan-2-ol
CID 133400244
3-[[(6-tert-butylsulfonyl-3-pyridinyl)amino]methyl]benzamide
CID 133373609
N-[(1-benzylpyrazol-4-yl)methyl]-6-tert-butylsulfonylpyridin-3-amine
CID 133374077
N-methyl-6-methylsulfonylpyridin-3-amine
CID 63091077
6-tert-butylsulfonyl-N-[(3-methyl-2-pyridinyl)methyl]pyridin-3-amine
CID 71920326

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-[6-(tribromomethylsulfonyl)-3-pyridinyl]hydrazine?
The IUPAC name of 1-phenyl-2-[6-(tribromomethylsulfonyl)-3-pyridinyl]hydrazine (CID 23535147) is 1-phenyl-2-[6-(tribromomethylsulfonyl)-3-pyridinyl]hydrazine.
What is the SMILES notation for 1-phenyl-2-[6-(tribromomethylsulfonyl)-3-pyridinyl]hydrazine?
The canonical SMILES for 1-phenyl-2-[6-(tribromomethylsulfonyl)-3-pyridinyl]hydrazine is O=S(=O)(c1ccc(NNc2ccccc2)cn1)C(Br)(Br)Br.
What is the InChIKey of 1-phenyl-2-[6-(tribromomethylsulfonyl)-3-pyridinyl]hydrazine?
The InChIKey is KCSLOYBPHIHWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Br3N3O2S/c13-12(14,15)21(19,20)11-7-6-10(8-16-11)18-17-9-4-2-1-3-5-9/h1-8,17-18H.
What are the key properties of 1-phenyl-2-[6-(tribromomethylsulfonyl)-3-pyridinyl]hydrazine?
1-phenyl-2-[6-(tribromomethylsulfonyl)-3-pyridinyl]hydrazine has a molecular weight of 500.01 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-[6-(tribromomethylsulfonyl)-3-pyridinyl]hydrazine is sourced from PubChem (CID 23535147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).