[1-(4-bromothiophen-2-yl)-4-pyridin-3-ylbutan-2-yl]hydrazine

C13H16BrN3S — CID 105299352

IUPAC[1-(4-bromothiophen-2-yl)-4-pyridin-3-ylbutan-2-yl]hydrazine
SMILESNNC(CCc1cccnc1)Cc1cc(Br)cs1
InChIInChI=1S/C13H16BrN3S/c14-11-6-13(18-9-11)7-12(17-15)4-3-10-2-1-5-16-8-10/h1-2,5-6,8-9,12,17H,3-4,7,15H2
InChIKeyOPEBHNUGHFGIEU-UHFFFAOYSA-N
MW326.26 g/mol
LogP2.91
Rot. Bonds6

About [1-(4-bromothiophen-2-yl)-4-pyridin-3-ylbutan-2-yl]hydrazine

[1-(4-bromothiophen-2-yl)-4-pyridin-3-ylbutan-2-yl]hydrazine (PubChem CID 105299352) has the molecular formula C13H16BrN3S and a molecular weight of 326.26 g/mol. Its IUPAC name is [1-(4-bromothiophen-2-yl)-4-pyridin-3-ylbutan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromothiophen-2-yl)-4-pyridin-3-ylbutan-2-yl]hydrazine
PubChem CID105299352
Molecular FormulaC13H16BrN3S
Molecular Weight326.26 g/mol
Exact Mass325.02
IUPAC Name[1-(4-bromothiophen-2-yl)-4-pyridin-3-ylbutan-2-yl]hydrazine
SMILESNNC(CCc1cccnc1)Cc1cc(Br)cs1
InChIInChI=1S/C13H16BrN3S/c14-11-6-13(18-9-11)7-12(17-15)4-3-10-2-1-5-16-8-10/h1-2,5-6,8-9,12,17H,3-4,7,15H2
InChIKeyOPEBHNUGHFGIEU-UHFFFAOYSA-N
XLogP2.91
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[1-(4-bromo-2-chlorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105335245
[1-(2-bromo-4-fluorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105296709
[4-phenyl-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine
CID 105205632
[1-(4-tert-butyl-1,3-thiazol-2-yl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105324991
[1-(2,6-difluorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105342897
N-[(4-bromothiophen-2-yl)methyl]-1-pyridin-3-ylmethanamine
CID 28833084
(6-methyl-1-pyridin-3-ylheptan-3-yl)hydrazine
CID 105294256
[1-(2,5-dichlorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105309892
[1-(2,5-dimethylphenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105287766
[1-(4-chloro-2-fluorophenyl)-4-pyridin-3-ylbutan-2-yl]hydrazine
CID 105342751
(1-pyridin-3-yl-5-thiophen-2-ylpentan-2-yl)hydrazine
CID 105333745
[4-(3-methylphenyl)-1-(1,3-thiazol-5-yl)butan-2-yl]hydrazine
CID 105332141

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromothiophen-2-yl)-4-pyridin-3-ylbutan-2-yl]hydrazine?
The IUPAC name of [1-(4-bromothiophen-2-yl)-4-pyridin-3-ylbutan-2-yl]hydrazine (CID 105299352) is [1-(4-bromothiophen-2-yl)-4-pyridin-3-ylbutan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-bromothiophen-2-yl)-4-pyridin-3-ylbutan-2-yl]hydrazine?
The canonical SMILES for [1-(4-bromothiophen-2-yl)-4-pyridin-3-ylbutan-2-yl]hydrazine is NNC(CCc1cccnc1)Cc1cc(Br)cs1.
What is the InChIKey of [1-(4-bromothiophen-2-yl)-4-pyridin-3-ylbutan-2-yl]hydrazine?
The InChIKey is OPEBHNUGHFGIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3S/c14-11-6-13(18-9-11)7-12(17-15)4-3-10-2-1-5-16-8-10/h1-2,5-6,8-9,12,17H,3-4,7,15H2.
What are the key properties of [1-(4-bromothiophen-2-yl)-4-pyridin-3-ylbutan-2-yl]hydrazine?
[1-(4-bromothiophen-2-yl)-4-pyridin-3-ylbutan-2-yl]hydrazine has a molecular weight of 326.26 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromothiophen-2-yl)-4-pyridin-3-ylbutan-2-yl]hydrazine is sourced from PubChem (CID 105299352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).