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

C12H14BrN3S — CID 105212499

IUPAC[1-(3-bromothiophen-2-yl)-3-pyridin-4-ylpropan-2-yl]hydrazine
SMILESNNC(Cc1ccncc1)Cc1sccc1Br
InChIInChI=1S/C12H14BrN3S/c13-11-3-6-17-12(11)8-10(16-14)7-9-1-4-15-5-2-9/h1-6,10,16H,7-8,14H2
InChIKeyNFBWFXLMVNKZMS-UHFFFAOYSA-N
MW312.24 g/mol
LogP2.52
Rot. Bonds5

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

[1-(3-bromothiophen-2-yl)-3-pyridin-4-ylpropan-2-yl]hydrazine (PubChem CID 105212499) has the molecular formula C12H14BrN3S and a molecular weight of 312.24 g/mol. Its IUPAC name is [1-(3-bromothiophen-2-yl)-3-pyridin-4-ylpropan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromothiophen-2-yl)-3-pyridin-4-ylpropan-2-yl]hydrazine
PubChem CID105212499
Molecular FormulaC12H14BrN3S
Molecular Weight312.24 g/mol
Exact Mass311.01
IUPAC Name[1-(3-bromothiophen-2-yl)-3-pyridin-4-ylpropan-2-yl]hydrazine
SMILESNNC(Cc1ccncc1)Cc1sccc1Br
InChIInChI=1S/C12H14BrN3S/c13-11-3-6-17-12(11)8-10(16-14)7-9-1-4-15-5-2-9/h1-6,10,16H,7-8,14H2
InChIKeyNFBWFXLMVNKZMS-UHFFFAOYSA-N
XLogP2.52
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 52.52
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-bromophenyl)-3-pyridin-4-ylpropan-2-yl]hydrazine
CID 105195629
3-(3-bromothiophen-2-yl)-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244859
1-(3-bromothiophen-2-yl)pent-4-en-2-ylhydrazine
CID 105269766
[1-(3-bromothiophen-2-yl)-4-ethoxybutan-2-yl]hydrazine
CID 105299615
[1-(3-bromothiophen-2-yl)-3-propoxypropan-2-yl]hydrazine
CID 105210102
[1-(3-bromothiophen-2-yl)-5-methoxyhexan-2-yl]hydrazine
CID 105299566
4-(3-bromothiophen-2-yl)-3-hydrazinyl-N,N-dimethylbutan-1-amine
CID 105259328
1,2-bis(3-bromothiophen-2-yl)ethylhydrazine
CID 105299585
1-(3-bromothiophen-2-yl)undecan-2-ylhydrazine
CID 105299478
1-(3-bromothiophen-2-yl)decan-2-ylhydrazine
CID 105299600
[1-(3-bromothiophen-2-yl)-3-cyclohexylpropan-2-yl]hydrazine
CID 105299515
[1-(3-bromothiophen-2-yl)-4-(2-methoxyethoxy)butan-2-yl]hydrazine
CID 102929781

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromothiophen-2-yl)-3-pyridin-4-ylpropan-2-yl]hydrazine?
The IUPAC name of [1-(3-bromothiophen-2-yl)-3-pyridin-4-ylpropan-2-yl]hydrazine (CID 105212499) is [1-(3-bromothiophen-2-yl)-3-pyridin-4-ylpropan-2-yl]hydrazine.
What is the SMILES notation for [1-(3-bromothiophen-2-yl)-3-pyridin-4-ylpropan-2-yl]hydrazine?
The canonical SMILES for [1-(3-bromothiophen-2-yl)-3-pyridin-4-ylpropan-2-yl]hydrazine is NNC(Cc1ccncc1)Cc1sccc1Br.
What is the InChIKey of [1-(3-bromothiophen-2-yl)-3-pyridin-4-ylpropan-2-yl]hydrazine?
The InChIKey is NFBWFXLMVNKZMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3S/c13-11-3-6-17-12(11)8-10(16-14)7-9-1-4-15-5-2-9/h1-6,10,16H,7-8,14H2.
What are the key properties of [1-(3-bromothiophen-2-yl)-3-pyridin-4-ylpropan-2-yl]hydrazine?
[1-(3-bromothiophen-2-yl)-3-pyridin-4-ylpropan-2-yl]hydrazine has a molecular weight of 312.24 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromothiophen-2-yl)-3-pyridin-4-ylpropan-2-yl]hydrazine is sourced from PubChem (CID 105212499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).