[(3-bromo-2-fluorophenyl)-(4-methylthiophen-3-yl)methyl]hydrazine

C12H12BrFN2S — CID 106649323

IUPAC[(3-bromo-2-fluorophenyl)-(4-methylthiophen-3-yl)methyl]hydrazine
SMILESCc1cscc1C(NN)c1cccc(Br)c1F
InChIInChI=1S/C12H12BrFN2S/c1-7-5-17-6-9(7)12(16-15)8-3-2-4-10(13)11(8)14/h2-6,12,16H,15H2,1H3
InChIKeyOOWIHZAVXOMXCS-UHFFFAOYSA-N
MW315.21 g/mol
LogP3.51
Rot. Bonds3

About [(3-bromo-2-fluorophenyl)-(4-methylthiophen-3-yl)methyl]hydrazine

[(3-bromo-2-fluorophenyl)-(4-methylthiophen-3-yl)methyl]hydrazine (PubChem CID 106649323) has the molecular formula C12H12BrFN2S and a molecular weight of 315.21 g/mol. Its IUPAC name is [(3-bromo-2-fluorophenyl)-(4-methylthiophen-3-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-2-fluorophenyl)-(4-methylthiophen-3-yl)methyl]hydrazine
PubChem CID106649323
Molecular FormulaC12H12BrFN2S
Molecular Weight315.21 g/mol
Exact Mass313.99
IUPAC Name[(3-bromo-2-fluorophenyl)-(4-methylthiophen-3-yl)methyl]hydrazine
SMILESCc1cscc1C(NN)c1cccc(Br)c1F
InChIInChI=1S/C12H12BrFN2S/c1-7-5-17-6-9(7)12(16-15)8-3-2-4-10(13)11(8)14/h2-6,12,16H,15H2,1H3
InChIKeyOOWIHZAVXOMXCS-UHFFFAOYSA-N
XLogP3.51
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.21
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(3-bromo-2-fluorophenyl)-(4-methylthiophen-3-yl)methyl]hydrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3-bromo-2-fluorophenyl)-thiophen-3-ylmethyl]hydrazine
CID 106648589
[(3-bromo-2-fluorophenyl)-(3-chloro-2-methylphenyl)methyl]hydrazine
CID 107103876
[(3-bromo-2-fluorophenyl)-(2,6-difluoro-3-methylphenyl)methyl]hydrazine
CID 106649829
1-(3-bromo-2-fluorophenyl)-1-(4-bromothiophen-3-yl)-N-methylmethanamine
CID 107953374
[(3-bromo-2-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methyl]hydrazine
CID 107954361
[1-benzothiophen-3-yl-(3-bromo-2-fluorophenyl)methyl]hydrazine
CID 106649802
[(3-bromo-2-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methyl]hydrazine
CID 107954307
[(2-chlorophenyl)-(4-methylthiophen-3-yl)methyl]hydrazine
CID 105251671
[(3-bromo-2-fluorophenyl)-(2-fluoro-4,6-dimethylphenyl)methyl]hydrazine
CID 107954370
[(2-fluoro-3-methylphenyl)-thiophen-3-ylmethyl]hydrazine
CID 105312068
[1-benzothiophen-7-yl-(4-methylthiophen-3-yl)methyl]hydrazine
CID 105251727
[(2-bromo-3-methylphenyl)-(2,3-difluoro-4-methylphenyl)methyl]hydrazine
CID 107986248

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-2-fluorophenyl)-(4-methylthiophen-3-yl)methyl]hydrazine?
The IUPAC name of [(3-bromo-2-fluorophenyl)-(4-methylthiophen-3-yl)methyl]hydrazine (CID 106649323) is [(3-bromo-2-fluorophenyl)-(4-methylthiophen-3-yl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-2-fluorophenyl)-(4-methylthiophen-3-yl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-2-fluorophenyl)-(4-methylthiophen-3-yl)methyl]hydrazine is Cc1cscc1C(NN)c1cccc(Br)c1F.
What is the InChIKey of [(3-bromo-2-fluorophenyl)-(4-methylthiophen-3-yl)methyl]hydrazine?
The InChIKey is OOWIHZAVXOMXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2S/c1-7-5-17-6-9(7)12(16-15)8-3-2-4-10(13)11(8)14/h2-6,12,16H,15H2,1H3.
What are the key properties of [(3-bromo-2-fluorophenyl)-(4-methylthiophen-3-yl)methyl]hydrazine?
[(3-bromo-2-fluorophenyl)-(4-methylthiophen-3-yl)methyl]hydrazine has a molecular weight of 315.21 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-2-fluorophenyl)-(4-methylthiophen-3-yl)methyl]hydrazine is sourced from PubChem (CID 106649323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).