[(4-bromothiophen-3-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine

C12H14BrN3S — CID 107504847

IUPAC[(4-bromothiophen-3-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine
SMILESCc1cc(C(NN)c2cscc2Br)cc(C)n1
InChIInChI=1S/C12H14BrN3S/c1-7-3-9(4-8(2)15-7)12(16-14)10-5-17-6-11(10)13/h3-6,12,16H,14H2,1-2H3
InChIKeyQMZBXDWIZMMVLI-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.08
Rot. Bonds3

About [(4-bromothiophen-3-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine

[(4-bromothiophen-3-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine (PubChem CID 107504847) has the molecular formula C12H14BrN3S and a molecular weight of 312.24 g/mol. Its IUPAC name is [(4-bromothiophen-3-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-bromothiophen-3-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine
PubChem CID107504847
Molecular FormulaC12H14BrN3S
Molecular Weight312.24 g/mol
Exact Mass311.01
IUPAC Name[(4-bromothiophen-3-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine
SMILESCc1cc(C(NN)c2cscc2Br)cc(C)n1
InChIInChI=1S/C12H14BrN3S/c1-7-3-9(4-8(2)15-7)12(16-14)10-5-17-6-11(10)13/h3-6,12,16H,14H2,1-2H3
InChIKeyQMZBXDWIZMMVLI-UHFFFAOYSA-N
XLogP3.08
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.08
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

[(4-bromothiophen-3-yl)-(2-methylquinolin-4-yl)methyl]hydrazine
CID 105322666
[(4-bromothiophen-3-yl)-(5-methylpyrimidin-2-yl)methyl]hydrazine
CID 105261433
[(3-bromofuran-2-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine
CID 107504907
[(4-bromo-3-fluorophenyl)-(4-bromothiophen-3-yl)methyl]hydrazine
CID 105322671
[(4-bromothiophen-3-yl)-(5-methylfuran-2-yl)methyl]hydrazine
CID 105322667
[(4-bromothiophen-3-yl)-(5-methyl-1-benzofuran-2-yl)methyl]hydrazine
CID 105322592
[(2,6-dimethyl-4-pyridinyl)-pyrimidin-5-ylmethyl]hydrazine
CID 107505050
[(4-bromothiophen-3-yl)-(4-fluoro-3-methoxyphenyl)methyl]hydrazine
CID 105322605
[(2,6-dimethyl-4-pyridinyl)-naphthalen-1-ylmethyl]hydrazine
CID 107505109
[(4-bromothiophen-3-yl)-(3-methylimidazol-4-yl)methyl]hydrazine
CID 105264557
[(4-bromothiophen-3-yl)-(thiadiazol-5-yl)methyl]hydrazine
CID 105322526
[(4-bromothiophen-3-yl)-(1,3-diethylpyrazol-5-yl)methyl]hydrazine
CID 105322625

Frequently Asked Questions

What is the IUPAC name of [(4-bromothiophen-3-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine?
The IUPAC name of [(4-bromothiophen-3-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine (CID 107504847) is [(4-bromothiophen-3-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine.
What is the SMILES notation for [(4-bromothiophen-3-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine?
The canonical SMILES for [(4-bromothiophen-3-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine is Cc1cc(C(NN)c2cscc2Br)cc(C)n1.
What is the InChIKey of [(4-bromothiophen-3-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine?
The InChIKey is QMZBXDWIZMMVLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3S/c1-7-3-9(4-8(2)15-7)12(16-14)10-5-17-6-11(10)13/h3-6,12,16H,14H2,1-2H3.
What are the key properties of [(4-bromothiophen-3-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine?
[(4-bromothiophen-3-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine has a molecular weight of 312.24 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-bromothiophen-3-yl)-(2,6-dimethyl-4-pyridinyl)methyl]hydrazine is sourced from PubChem (CID 107504847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).