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

C15H18FN3O — CID 105193158

IUPAC[(3-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
SMILESCCCOc1cncc(C(NN)c2cccc(F)c2)c1
InChIInChI=1S/C15H18FN3O/c1-2-6-20-14-8-12(9-18-10-14)15(19-17)11-4-3-5-13(16)7-11/h3-5,7-10,15,19H,2,6,17H2,1H3
InChIKeyXOIWGJPMEGVYMT-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.56
Rot. Bonds6

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

[(3-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine (PubChem CID 105193158) has the molecular formula C15H18FN3O and a molecular weight of 275.33 g/mol. Its IUPAC name is [(3-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine.

Molecular Properties

Compound Name[(3-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
PubChem CID105193158
Molecular FormulaC15H18FN3O
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name[(3-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine
SMILESCCCOc1cncc(C(NN)c2cccc(F)c2)c1
InChIInChI=1S/C15H18FN3O/c1-2-6-20-14-8-12(9-18-10-14)15(19-17)11-4-3-5-13(16)7-11/h3-5,7-10,15,19H,2,6,17H2,1H3
InChIKeyXOIWGJPMEGVYMT-UHFFFAOYSA-N
XLogP2.56
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.56
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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Frequently Asked Questions

What is the IUPAC name of [(3-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine?
The IUPAC name of [(3-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine (CID 105193158) is [(3-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine.
What is the SMILES notation for [(3-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine?
The canonical SMILES for [(3-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine is CCCOc1cncc(C(NN)c2cccc(F)c2)c1.
What is the InChIKey of [(3-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine?
The InChIKey is XOIWGJPMEGVYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O/c1-2-6-20-14-8-12(9-18-10-14)15(19-17)11-4-3-5-13(16)7-11/h3-5,7-10,15,19H,2,6,17H2,1H3.
What are the key properties of [(3-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine?
[(3-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine has a molecular weight of 275.33 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-fluorophenyl)-(5-propoxy-3-pyridinyl)methyl]hydrazine is sourced from PubChem (CID 105193158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).