3-[2-(2-bromophenyl)sulfanyl-1-hydrazinylethyl]pyridin-4-amine

C13H15BrN4S — CID 105238112

IUPAC3-[2-(2-bromophenyl)sulfanyl-1-hydrazinylethyl]pyridin-4-amine
SMILESNNC(CSc1ccccc1Br)c1cnccc1N
InChIInChI=1S/C13H15BrN4S/c14-10-3-1-2-4-13(10)19-8-12(18-16)9-7-17-6-5-11(9)15/h1-7,12,18H,8,16H2,(H2,15,17)
InChIKeyFBXLFJZTDRKQTL-UHFFFAOYSA-N
MW339.26 g/mol
LogP2.72
Rot. Bonds5

About 3-[2-(2-bromophenyl)sulfanyl-1-hydrazinylethyl]pyridin-4-amine

3-[2-(2-bromophenyl)sulfanyl-1-hydrazinylethyl]pyridin-4-amine (PubChem CID 105238112) has the molecular formula C13H15BrN4S and a molecular weight of 339.26 g/mol. Its IUPAC name is 3-[2-(2-bromophenyl)sulfanyl-1-hydrazinylethyl]pyridin-4-amine.

Molecular Properties

Compound Name3-[2-(2-bromophenyl)sulfanyl-1-hydrazinylethyl]pyridin-4-amine
PubChem CID105238112
Molecular FormulaC13H15BrN4S
Molecular Weight339.26 g/mol
Exact Mass338.02
IUPAC Name3-[2-(2-bromophenyl)sulfanyl-1-hydrazinylethyl]pyridin-4-amine
SMILESNNC(CSc1ccccc1Br)c1cnccc1N
InChIInChI=1S/C13H15BrN4S/c14-10-3-1-2-4-13(10)19-8-12(18-16)9-7-17-6-5-11(9)15/h1-7,12,18H,8,16H2,(H2,15,17)
InChIKeyFBXLFJZTDRKQTL-UHFFFAOYSA-N
XLogP2.72
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-bromophenyl)sulfanyl-1-(2-methoxyphenyl)ethyl]hydrazine
CID 105238032
[2-(2-bromophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethyl]hydrazine
CID 105238198
[2-(2-bromophenyl)sulfanyl-1-(2,3-dimethylphenyl)ethyl]hydrazine
CID 105238066
[2-(2-bromophenyl)sulfanyl-1-(2,3-difluoro-4-methylphenyl)ethyl]hydrazine
CID 107516429
2-(2-bromophenyl)sulfanyl-1-(3-fluoro-4-pyridinyl)ethanol
CID 104738041
[2-(2-bromophenyl)sulfanyl-1-(4-bromo-1-propan-2-ylpyrazol-5-yl)ethyl]hydrazine
CID 105238052
3-(3,3,3-trifluoro-1-hydrazinylpropyl)pyridin-4-amine
CID 105205967
1-(4-amino-3-pyridinyl)-3-(2-bromophenyl)sulfanylpropan-2-one
CID 66144236
[1-(3-bromo-2-fluorophenyl)-2-(2-fluorophenyl)sulfanylethyl]hydrazine
CID 106649115
3-[(2-aminophenyl)-hydrazinylmethyl]pyridin-4-amine
CID 105223806
3-[1-(methylamino)-2-(4-methylphenyl)sulfanylethyl]pyridin-4-amine
CID 66065398
3-[2-(3-bromo-2-pyridinyl)-2-hydrazinylethyl]pyridin-4-amine
CID 105268247

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-bromophenyl)sulfanyl-1-hydrazinylethyl]pyridin-4-amine?
The IUPAC name of 3-[2-(2-bromophenyl)sulfanyl-1-hydrazinylethyl]pyridin-4-amine (CID 105238112) is 3-[2-(2-bromophenyl)sulfanyl-1-hydrazinylethyl]pyridin-4-amine.
What is the SMILES notation for 3-[2-(2-bromophenyl)sulfanyl-1-hydrazinylethyl]pyridin-4-amine?
The canonical SMILES for 3-[2-(2-bromophenyl)sulfanyl-1-hydrazinylethyl]pyridin-4-amine is NNC(CSc1ccccc1Br)c1cnccc1N.
What is the InChIKey of 3-[2-(2-bromophenyl)sulfanyl-1-hydrazinylethyl]pyridin-4-amine?
The InChIKey is FBXLFJZTDRKQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN4S/c14-10-3-1-2-4-13(10)19-8-12(18-16)9-7-17-6-5-11(9)15/h1-7,12,18H,8,16H2,(H2,15,17).
What are the key properties of 3-[2-(2-bromophenyl)sulfanyl-1-hydrazinylethyl]pyridin-4-amine?
3-[2-(2-bromophenyl)sulfanyl-1-hydrazinylethyl]pyridin-4-amine has a molecular weight of 339.26 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-bromophenyl)sulfanyl-1-hydrazinylethyl]pyridin-4-amine is sourced from PubChem (CID 105238112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).