[1-(4-bromo-2-fluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-yl]hydrazine

C15H17BrFN3O — CID 105250426

IUPAC[1-(4-bromo-2-fluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-yl]hydrazine
SMILESCOc1ccc(CC(Cc2ccc(Br)cc2F)NN)cn1
InChIInChI=1S/C15H17BrFN3O/c1-21-15-5-2-10(9-19-15)6-13(20-18)7-11-3-4-12(16)8-14(11)17/h2-5,8-9,13,20H,6-7,18H2,1H3
InChIKeySYMYMCGBAIUQGA-UHFFFAOYSA-N
MW354.22 g/mol
LogP2.61
Rot. Bonds6

About [1-(4-bromo-2-fluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-yl]hydrazine

[1-(4-bromo-2-fluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-yl]hydrazine (PubChem CID 105250426) has the molecular formula C15H17BrFN3O and a molecular weight of 354.22 g/mol. Its IUPAC name is [1-(4-bromo-2-fluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-yl]hydrazine.

Molecular Properties

Compound Name[1-(4-bromo-2-fluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-yl]hydrazine
PubChem CID105250426
Molecular FormulaC15H17BrFN3O
Molecular Weight354.22 g/mol
Exact Mass353.05
IUPAC Name[1-(4-bromo-2-fluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-yl]hydrazine
SMILESCOc1ccc(CC(Cc2ccc(Br)cc2F)NN)cn1
InChIInChI=1S/C15H17BrFN3O/c1-21-15-5-2-10(9-19-15)6-13(20-18)7-11-3-4-12(16)8-14(11)17/h2-5,8-9,13,20H,6-7,18H2,1H3
InChIKeySYMYMCGBAIUQGA-UHFFFAOYSA-N
XLogP2.61
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.22
LogP ≤ 52.61
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

[1-(2-bromophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-yl]hydrazine
CID 105250637
[1-(4-bromo-2-fluorophenyl)-3-(3-methoxyphenyl)propan-2-yl]hydrazine
CID 105205131
[1-(6-methoxy-3-pyridinyl)-3-pyridin-3-ylpropan-2-yl]hydrazine
CID 105250534
[1-(5-ethylthiophen-2-yl)-3-(6-methoxy-3-pyridinyl)propan-2-yl]hydrazine
CID 105250549
[1-(4-bromo-2-fluorophenyl)-3-[(2-methylpropan-2-yl)oxy]propan-2-yl]hydrazine
CID 105297513
[1-(6-methoxy-3-pyridinyl)-6-methylheptan-2-yl]hydrazine
CID 105250649
2-(4-bromo-2-fluorophenyl)-1-(6-methoxypyrimidin-4-yl)ethanamine
CID 102950753
[1-(4-bromo-2-fluorophenyl)-3-(2-chloro-4-fluorophenyl)propan-2-yl]hydrazine
CID 105216081
[1-(4-bromo-2-fluorophenyl)-3-ethylsulfanylpropan-2-yl]hydrazine
CID 105225209
[1-(6-methoxy-3-pyridinyl)-3-methylbutan-2-yl]hydrazine
CID 105250512
[1-(6-methoxy-3-pyridinyl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-yl]hydrazine
CID 105250530
1-(4-bromo-2-fluorophenyl)-N-ethyl-3-(4-fluorophenyl)propan-2-amine
CID 62602075

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-2-fluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-yl]hydrazine?
The IUPAC name of [1-(4-bromo-2-fluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-yl]hydrazine (CID 105250426) is [1-(4-bromo-2-fluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-yl]hydrazine.
What is the SMILES notation for [1-(4-bromo-2-fluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-yl]hydrazine?
The canonical SMILES for [1-(4-bromo-2-fluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-yl]hydrazine is COc1ccc(CC(Cc2ccc(Br)cc2F)NN)cn1.
What is the InChIKey of [1-(4-bromo-2-fluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-yl]hydrazine?
The InChIKey is SYMYMCGBAIUQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3O/c1-21-15-5-2-10(9-19-15)6-13(20-18)7-11-3-4-12(16)8-14(11)17/h2-5,8-9,13,20H,6-7,18H2,1H3.
What are the key properties of [1-(4-bromo-2-fluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-yl]hydrazine?
[1-(4-bromo-2-fluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-yl]hydrazine has a molecular weight of 354.22 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-2-fluorophenyl)-3-(6-methoxy-3-pyridinyl)propan-2-yl]hydrazine is sourced from PubChem (CID 105250426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).