[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(6-methyl-2-pyridinyl)ethyl]hydrazine

C16H18BrN3O — CID 105219279

IUPAC[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(6-methyl-2-pyridinyl)ethyl]hydrazine
SMILESCc1cccc(C(Cc2cc(Br)cc3c2OCC3)NN)n1
InChIInChI=1S/C16H18BrN3O/c1-10-3-2-4-14(19-10)15(20-18)9-12-8-13(17)7-11-5-6-21-16(11)12/h2-4,7-8,15,20H,5-6,9,18H2,1H3
InChIKeyONCMJKKULXIGRB-UHFFFAOYSA-N
MW348.24 g/mol
LogP2.83
Rot. Bonds4

About [2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(6-methyl-2-pyridinyl)ethyl]hydrazine

[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(6-methyl-2-pyridinyl)ethyl]hydrazine (PubChem CID 105219279) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is [2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(6-methyl-2-pyridinyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(6-methyl-2-pyridinyl)ethyl]hydrazine
PubChem CID105219279
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(6-methyl-2-pyridinyl)ethyl]hydrazine
SMILESCc1cccc(C(Cc2cc(Br)cc3c2OCC3)NN)n1
InChIInChI=1S/C16H18BrN3O/c1-10-3-2-4-14(19-10)15(20-18)9-12-8-13(17)7-11-5-6-21-16(11)12/h2-4,7-8,15,20H,5-6,9,18H2,1H3
InChIKeyONCMJKKULXIGRB-UHFFFAOYSA-N
XLogP2.83
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 52.83
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

[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(4-methylphenyl)ethyl]hydrazine
CID 105194509
[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2-methylfuran-3-yl)ethyl]hydrazine
CID 105269234
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(2,6-dimethyl-4-pyridinyl)ethanol
CID 107502934
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-N-methyl-1-(4-methyl-3-pyridinyl)ethanamine
CID 114878133
[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-cyclopentylethyl]hydrazine
CID 105204527
2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(3-bromo-2-methylphenyl)ethanol
CID 115830920
N-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-4-methylpyrimidin-2-amine
CID 104703145
[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-4,5,5-trimethylhexan-2-yl]hydrazine
CID 105332536
[2-(4-methylphenyl)-1-(6-methyl-2-pyridinyl)ethyl]hydrazine
CID 105219183
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)pent-4-en-2-ylhydrazine
CID 105269841
[1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3-methoxy-4-methylpentan-2-yl]hydrazine
CID 105272266
1-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-3,3-dimethylbutan-2-amine
CID 113403543

Frequently Asked Questions

What is the IUPAC name of [2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(6-methyl-2-pyridinyl)ethyl]hydrazine?
The IUPAC name of [2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(6-methyl-2-pyridinyl)ethyl]hydrazine (CID 105219279) is [2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(6-methyl-2-pyridinyl)ethyl]hydrazine.
What is the SMILES notation for [2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(6-methyl-2-pyridinyl)ethyl]hydrazine?
The canonical SMILES for [2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(6-methyl-2-pyridinyl)ethyl]hydrazine is Cc1cccc(C(Cc2cc(Br)cc3c2OCC3)NN)n1.
What is the InChIKey of [2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(6-methyl-2-pyridinyl)ethyl]hydrazine?
The InChIKey is ONCMJKKULXIGRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-10-3-2-4-14(19-10)15(20-18)9-12-8-13(17)7-11-5-6-21-16(11)12/h2-4,7-8,15,20H,5-6,9,18H2,1H3.
What are the key properties of [2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(6-methyl-2-pyridinyl)ethyl]hydrazine?
[2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(6-methyl-2-pyridinyl)ethyl]hydrazine has a molecular weight of 348.24 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-bromo-2,3-dihydro-1-benzofuran-7-yl)-1-(6-methyl-2-pyridinyl)ethyl]hydrazine is sourced from PubChem (CID 105219279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).