1-(3-bromo-2-pyridinyl)pent-4-enylhydrazine

C10H14BrN3 — CID 105268068

IUPAC1-(3-bromo-2-pyridinyl)pent-4-enylhydrazine
SMILESC=CCCC(NN)c1ncccc1Br
InChIInChI=1S/C10H14BrN3/c1-2-3-6-9(14-12)10-8(11)5-4-7-13-10/h2,4-5,7,9,14H,1,3,6,12H2
InChIKeyCUQPDSBTEOERBR-UHFFFAOYSA-N
MW256.15 g/mol
LogP2.31
Rot. Bonds5

About 1-(3-bromo-2-pyridinyl)pent-4-enylhydrazine

1-(3-bromo-2-pyridinyl)pent-4-enylhydrazine (PubChem CID 105268068) has the molecular formula C10H14BrN3 and a molecular weight of 256.15 g/mol. Its IUPAC name is 1-(3-bromo-2-pyridinyl)pent-4-enylhydrazine.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)pent-4-enylhydrazine
PubChem CID105268068
Molecular FormulaC10H14BrN3
Molecular Weight256.15 g/mol
Exact Mass255.04
IUPAC Name1-(3-bromo-2-pyridinyl)pent-4-enylhydrazine
SMILESC=CCCC(NN)c1ncccc1Br
InChIInChI=1S/C10H14BrN3/c1-2-3-6-9(14-12)10-8(11)5-4-7-13-10/h2,4-5,7,9,14H,1,3,6,12H2
InChIKeyCUQPDSBTEOERBR-UHFFFAOYSA-N
XLogP2.31
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.15
LogP ≤ 52.31
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-pyridinyl)pent-4-enylhydrazine?
The IUPAC name of 1-(3-bromo-2-pyridinyl)pent-4-enylhydrazine (CID 105268068) is 1-(3-bromo-2-pyridinyl)pent-4-enylhydrazine.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)pent-4-enylhydrazine?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)pent-4-enylhydrazine is C=CCCC(NN)c1ncccc1Br.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)pent-4-enylhydrazine?
The InChIKey is CUQPDSBTEOERBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3/c1-2-3-6-9(14-12)10-8(11)5-4-7-13-10/h2,4-5,7,9,14H,1,3,6,12H2.
What are the key properties of 1-(3-bromo-2-pyridinyl)pent-4-enylhydrazine?
1-(3-bromo-2-pyridinyl)pent-4-enylhydrazine has a molecular weight of 256.15 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-pyridinyl)pent-4-enylhydrazine is sourced from PubChem (CID 105268068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).