[1-(2-bromofuran-3-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethyl]hydrazine

C14H18BrN3O2 — CID 106859817

IUPAC[1-(2-bromofuran-3-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethyl]hydrazine
SMILESCOc1c(C)cnc(CC(NN)c2ccoc2Br)c1C
InChIInChI=1S/C14H18BrN3O2/c1-8-7-17-11(9(2)13(8)19-3)6-12(18-16)10-4-5-20-14(10)15/h4-5,7,12,18H,6,16H2,1-3H3
InChIKeyJXZRHTURGPYVBK-UHFFFAOYSA-N
MW340.22 g/mol
LogP2.81
Rot. Bonds5

About [1-(2-bromofuran-3-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethyl]hydrazine

[1-(2-bromofuran-3-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethyl]hydrazine (PubChem CID 106859817) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is [1-(2-bromofuran-3-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethyl]hydrazine.

Molecular Properties

Compound Name[1-(2-bromofuran-3-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethyl]hydrazine
PubChem CID106859817
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name[1-(2-bromofuran-3-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethyl]hydrazine
SMILESCOc1c(C)cnc(CC(NN)c2ccoc2Br)c1C
InChIInChI=1S/C14H18BrN3O2/c1-8-7-17-11(9(2)13(8)19-3)6-12(18-16)10-4-5-20-14(10)15/h4-5,7,12,18H,6,16H2,1-3H3
InChIKeyJXZRHTURGPYVBK-UHFFFAOYSA-N
XLogP2.81
TPSA73.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(4-methyl-3-pyridinyl)ethyl]hydrazine
CID 105279925
[1-(5-bromo-3-pyridinyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethyl]hydrazine
CID 105251270
[2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(5-methylpyrazin-2-yl)ethyl]hydrazine
CID 105297174
[1-(4-methoxy-3,5-dimethyl-2-pyridinyl)-3-phenylpropan-2-yl]hydrazine
CID 105195369
[2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(1-methylimidazol-4-yl)ethyl]hydrazine
CID 114023428
1-(5-bromofuran-2-yl)-N-ethyl-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 115844039
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-(5-methylfuran-2-yl)ethanamine
CID 115843909
1-(4,5-dibromofuran-2-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
CID 65150589
2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-N-methyl-1-pyridin-4-ylethanamine
CID 62601677
1-(2-bromo-5-methylphenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
CID 115788146
1-(2-fluorophenyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanol
CID 63085403
[2-(4-methoxy-3,5-dimethyl-2-pyridinyl)-1-(oxan-4-yl)ethyl]hydrazine
CID 105229756

Frequently Asked Questions

What is the IUPAC name of [1-(2-bromofuran-3-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethyl]hydrazine?
The IUPAC name of [1-(2-bromofuran-3-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethyl]hydrazine (CID 106859817) is [1-(2-bromofuran-3-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethyl]hydrazine.
What is the SMILES notation for [1-(2-bromofuran-3-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethyl]hydrazine?
The canonical SMILES for [1-(2-bromofuran-3-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethyl]hydrazine is COc1c(C)cnc(CC(NN)c2ccoc2Br)c1C.
What is the InChIKey of [1-(2-bromofuran-3-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethyl]hydrazine?
The InChIKey is JXZRHTURGPYVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-8-7-17-11(9(2)13(8)19-3)6-12(18-16)10-4-5-20-14(10)15/h4-5,7,12,18H,6,16H2,1-3H3.
What are the key properties of [1-(2-bromofuran-3-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethyl]hydrazine?
[1-(2-bromofuran-3-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethyl]hydrazine has a molecular weight of 340.22 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-bromofuran-3-yl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethyl]hydrazine is sourced from PubChem (CID 106859817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).