[(5-bromo-3-pyridinyl)-(cyclohexen-1-yl)methyl]hydrazine

C12H16BrN3 — CID 106649312

IUPAC[(5-bromo-3-pyridinyl)-(cyclohexen-1-yl)methyl]hydrazine
SMILESNNC(C1=CCCCC1)c1cncc(Br)c1
InChIInChI=1S/C12H16BrN3/c13-11-6-10(7-15-8-11)12(16-14)9-4-2-1-3-5-9/h4,6-8,12,16H,1-3,5,14H2
InChIKeyZMQPKNXUYMSLFH-UHFFFAOYSA-N
MW282.19 g/mol
LogP2.85
Rot. Bonds3

About [(5-bromo-3-pyridinyl)-(cyclohexen-1-yl)methyl]hydrazine

[(5-bromo-3-pyridinyl)-(cyclohexen-1-yl)methyl]hydrazine (PubChem CID 106649312) has the molecular formula C12H16BrN3 and a molecular weight of 282.19 g/mol. Its IUPAC name is [(5-bromo-3-pyridinyl)-(cyclohexen-1-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(5-bromo-3-pyridinyl)-(cyclohexen-1-yl)methyl]hydrazine
PubChem CID106649312
Molecular FormulaC12H16BrN3
Molecular Weight282.19 g/mol
Exact Mass281.05
IUPAC Name[(5-bromo-3-pyridinyl)-(cyclohexen-1-yl)methyl]hydrazine
SMILESNNC(C1=CCCCC1)c1cncc(Br)c1
InChIInChI=1S/C12H16BrN3/c13-11-6-10(7-15-8-11)12(16-14)9-4-2-1-3-5-9/h4,6-8,12,16H,1-3,5,14H2
InChIKeyZMQPKNXUYMSLFH-UHFFFAOYSA-N
XLogP2.85
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[(6-chloro-3-pyridinyl)-(cyclohexen-1-yl)methyl]hydrazine
CID 106649336
[(5-bromo-3-pyridinyl)-(5-methyl-3-pyridinyl)methyl]hydrazine
CID 105251101
[(5-bromofuran-2-yl)-[(1E)-cycloocten-1-yl]methyl]hydrazine
CID 106650019
[cyclohexen-1-yl-(3,4-dimethylphenyl)methyl]hydrazine
CID 106650598
[cyclohepten-1-yl-(3-methylphenyl)methyl]hydrazine
CID 106648636
[(5-bromo-3-pyridinyl)-(2,4,5-trimethylphenyl)methyl]hydrazine
CID 105251229
[(3-chlorophenyl)-(cyclohepten-1-yl)methyl]hydrazine
CID 106648562
[cyclohepten-1-yl(naphthalen-2-yl)methyl]hydrazine
CID 106648805
[(3-chloro-4-fluorophenyl)-(cyclohexen-1-yl)methyl]hydrazine
CID 106648872
[[(1E)-cycloocten-1-yl]-thiophen-3-ylmethyl]hydrazine
CID 106648587
[cyclohepten-1-yl-(4-ethylphenyl)methyl]hydrazine
CID 106648595
[(5-bromo-3-pyridinyl)-(3,5-dimethoxyphenyl)methyl]hydrazine
CID 105251245

Frequently Asked Questions

What is the IUPAC name of [(5-bromo-3-pyridinyl)-(cyclohexen-1-yl)methyl]hydrazine?
The IUPAC name of [(5-bromo-3-pyridinyl)-(cyclohexen-1-yl)methyl]hydrazine (CID 106649312) is [(5-bromo-3-pyridinyl)-(cyclohexen-1-yl)methyl]hydrazine.
What is the SMILES notation for [(5-bromo-3-pyridinyl)-(cyclohexen-1-yl)methyl]hydrazine?
The canonical SMILES for [(5-bromo-3-pyridinyl)-(cyclohexen-1-yl)methyl]hydrazine is NNC(C1=CCCCC1)c1cncc(Br)c1.
What is the InChIKey of [(5-bromo-3-pyridinyl)-(cyclohexen-1-yl)methyl]hydrazine?
The InChIKey is ZMQPKNXUYMSLFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3/c13-11-6-10(7-15-8-11)12(16-14)9-4-2-1-3-5-9/h4,6-8,12,16H,1-3,5,14H2.
What are the key properties of [(5-bromo-3-pyridinyl)-(cyclohexen-1-yl)methyl]hydrazine?
[(5-bromo-3-pyridinyl)-(cyclohexen-1-yl)methyl]hydrazine has a molecular weight of 282.19 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(5-bromo-3-pyridinyl)-(cyclohexen-1-yl)methyl]hydrazine is sourced from PubChem (CID 106649312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).