[1-(3-bromo-2-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine

C16H18BrN3O — CID 105267998

IUPAC[1-(3-bromo-2-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine
SMILESNNC(CCc1ccc2c(c1)CCO2)c1ncccc1Br
InChIInChI=1S/C16H18BrN3O/c17-13-2-1-8-19-16(13)14(20-18)5-3-11-4-6-15-12(10-11)7-9-21-15/h1-2,4,6,8,10,14,20H,3,5,7,9,18H2
InChIKeyBISCCBVHQIIBJC-UHFFFAOYSA-N
MW348.24 g/mol
LogP2.92
Rot. Bonds5

About [1-(3-bromo-2-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine

[1-(3-bromo-2-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine (PubChem CID 105267998) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is [1-(3-bromo-2-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine.

Molecular Properties

Compound Name[1-(3-bromo-2-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine
PubChem CID105267998
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name[1-(3-bromo-2-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine
SMILESNNC(CCc1ccc2c(c1)CCO2)c1ncccc1Br
InChIInChI=1S/C16H18BrN3O/c17-13-2-1-8-19-16(13)14(20-18)5-3-11-4-6-15-12(10-11)7-9-21-15/h1-2,4,6,8,10,14,20H,3,5,7,9,18H2
InChIKeyBISCCBVHQIIBJC-UHFFFAOYSA-N
XLogP2.92
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 52.92
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

[3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-methyl-2-pyridinyl)propyl]hydrazine
CID 105209146
[3-(2,3-dihydro-1-benzofuran-5-yl)-1-pyridazin-4-ylpropyl]hydrazine
CID 105310446
[3-(2,3-dihydro-1-benzofuran-5-yl)-1-(4-methyl-3-pyridinyl)propyl]hydrazine
CID 105279768
[3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-methylfuran-2-yl)propyl]hydrazine
CID 105310452
[1-cyclopropyl-3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine
CID 105202382
3-(2,3-dihydro-1-benzofuran-5-yl)-N-methyl-1-pyridin-3-ylpropan-1-amine
CID 65445324
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(2-methyl-3-pyridinyl)propan-1-amine
CID 105152090
[3-(2,3-dihydro-1-benzofuran-5-yl)-1-(5-ethylfuran-2-yl)propyl]hydrazine
CID 105310456
4-[3-(2,3-dihydro-1-benzofuran-5-yl)-1-hydrazinylpropyl]-1-methylpyrazol-5-amine
CID 105230739
[4-(2,3-dihydro-1-benzofuran-5-yl)-1,1-difluorobutan-2-yl]hydrazine
CID 105265014
[4-(2,3-dihydro-1-benzofuran-5-yl)-1-methylsulfanylbutan-2-yl]hydrazine
CID 105213803
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-1-pyridin-3-ylpropan-1-amine
CID 65445510

Frequently Asked Questions

What is the IUPAC name of [1-(3-bromo-2-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine?
The IUPAC name of [1-(3-bromo-2-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine (CID 105267998) is [1-(3-bromo-2-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine.
What is the SMILES notation for [1-(3-bromo-2-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine?
The canonical SMILES for [1-(3-bromo-2-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine is NNC(CCc1ccc2c(c1)CCO2)c1ncccc1Br.
What is the InChIKey of [1-(3-bromo-2-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine?
The InChIKey is BISCCBVHQIIBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c17-13-2-1-8-19-16(13)14(20-18)5-3-11-4-6-15-12(10-11)7-9-21-15/h1-2,4,6,8,10,14,20H,3,5,7,9,18H2.
What are the key properties of [1-(3-bromo-2-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine?
[1-(3-bromo-2-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine has a molecular weight of 348.24 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-bromo-2-pyridinyl)-3-(2,3-dihydro-1-benzofuran-5-yl)propyl]hydrazine is sourced from PubChem (CID 105267998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).