[(3-bromo-4-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine

C15H17BrFN3O — CID 105264229

IUPAC[(3-bromo-4-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
SMILESCCCOc1cncc(C(NN)c2ccc(F)c(Br)c2)c1
InChIInChI=1S/C15H17BrFN3O/c1-2-5-21-12-6-11(8-19-9-12)15(20-18)10-3-4-14(17)13(16)7-10/h3-4,6-9,15,20H,2,5,18H2,1H3
InChIKeyBRYRDDFXWRORDI-UHFFFAOYSA-N
MW354.22 g/mol
LogP3.32
Rot. Bonds6

About [(3-bromo-4-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine

[(3-bromo-4-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine (PubChem CID 105264229) has the molecular formula C15H17BrFN3O and a molecular weight of 354.22 g/mol. Its IUPAC name is [(3-bromo-4-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-bromo-4-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
PubChem CID105264229
Molecular FormulaC15H17BrFN3O
Molecular Weight354.22 g/mol
Exact Mass353.05
IUPAC Name[(3-bromo-4-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
SMILESCCCOc1cncc(C(NN)c2ccc(F)c(Br)c2)c1
InChIInChI=1S/C15H17BrFN3O/c1-2-5-21-12-6-11(8-19-9-12)15(20-18)10-3-4-14(17)13(16)7-10/h3-4,6-9,15,20H,2,5,18H2,1H3
InChIKeyBRYRDDFXWRORDI-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
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-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 105193158
[(4-chloro-2-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 105217975
[(3-chlorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 105194775
[(3-bromo-5-chlorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 107948448
[(2-fluoro-4-methylphenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 105330079
[(3-bromo-4-fluorophenyl)-(4-ethoxyphenyl)methyl]hydrazine
CID 105264052
1-(4-chloro-3-fluorophenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 107994842
[(2-methylsulfanylphenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 105330102
[(5-propoxy-3-pyridinyl)-thiophen-2-ylmethyl]hydrazine
CID 105193764
[(2,5-dimethylphenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
CID 105330089
1-(2-fluoro-5-methylphenyl)-N-methyl-1-(5-propoxy-3-pyridinyl)methanamine
CID 105026815
1-(4-bromo-3-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)-N-methylmethanamine
CID 105026336

Frequently Asked Questions

What is the IUPAC name of [(3-bromo-4-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine?
The IUPAC name of [(3-bromo-4-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine (CID 105264229) is [(3-bromo-4-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine.
What is the SMILES notation for [(3-bromo-4-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine?
The canonical SMILES for [(3-bromo-4-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine is CCCOc1cncc(C(NN)c2ccc(F)c(Br)c2)c1.
What is the InChIKey of [(3-bromo-4-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine?
The InChIKey is BRYRDDFXWRORDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrFN3O/c1-2-5-21-12-6-11(8-19-9-12)15(20-18)10-3-4-14(17)13(16)7-10/h3-4,6-9,15,20H,2,5,18H2,1H3.
What are the key properties of [(3-bromo-4-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine?
[(3-bromo-4-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine has a molecular weight of 354.22 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-bromo-4-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine is sourced from PubChem (CID 105264229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).