[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-fluoro-3-pyridinyl)methyl]hydrazine

C15H16FN3O2 — CID 105302944

IUPAC[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-fluoro-3-pyridinyl)methyl]hydrazine
SMILESNNC(c1cncc(F)c1)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C15H16FN3O2/c16-12-6-11(8-18-9-12)15(19-17)10-2-3-13-14(7-10)21-5-1-4-20-13/h2-3,6-9,15,19H,1,4-5,17H2
InChIKeyKRXOHWZGFNGIET-UHFFFAOYSA-N
MW289.31 g/mol
LogP1.93
Rot. Bonds3

About [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-fluoro-3-pyridinyl)methyl]hydrazine

[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-fluoro-3-pyridinyl)methyl]hydrazine (PubChem CID 105302944) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-fluoro-3-pyridinyl)methyl]hydrazine.

Molecular Properties

Compound Name[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-fluoro-3-pyridinyl)methyl]hydrazine
PubChem CID105302944
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC Name[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-fluoro-3-pyridinyl)methyl]hydrazine
SMILESNNC(c1cncc(F)c1)c1ccc2c(c1)OCCCO2
InChIInChI=1S/C15H16FN3O2/c16-12-6-11(8-18-9-12)15(19-17)10-2-3-13-14(7-10)21-5-1-4-20-13/h2-3,6-9,15,19H,1,4-5,17H2
InChIKeyKRXOHWZGFNGIET-UHFFFAOYSA-N
XLogP1.93
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.93
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

1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(5-fluoro-3-pyridinyl)-N-methylmethanamine
CID 105143391
[(4-cyclobutylphenyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105338213
[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-1,3-thiazol-5-yl)methyl]hydrazine
CID 114031820
[(2,4-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105216684
[(3-bromothiophen-2-yl)-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]hydrazine
CID 105302932
[(2-chloro-5-fluorophenyl)-(2,3-dihydro-1,4-benzodioxin-6-yl)methyl]hydrazine
CID 105398142
[(3-cyclobutylphenyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105342046
[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,2,2-trifluoroethyl]hydrazine
CID 105215563
[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(2-methyl-3-pyridinyl)methyl]hydrazine
CID 105302915
[(3,5-dibromophenyl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 107978916
[(5-bromofuran-2-yl)-(5-fluoro-3-pyridinyl)methyl]hydrazine
CID 105288205
3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-methyl-3-pyridinyl)methanamine
CID 105143380

Frequently Asked Questions

What is the IUPAC name of [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-fluoro-3-pyridinyl)methyl]hydrazine?
The IUPAC name of [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-fluoro-3-pyridinyl)methyl]hydrazine (CID 105302944) is [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-fluoro-3-pyridinyl)methyl]hydrazine.
What is the SMILES notation for [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-fluoro-3-pyridinyl)methyl]hydrazine?
The canonical SMILES for [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-fluoro-3-pyridinyl)methyl]hydrazine is NNC(c1cncc(F)c1)c1ccc2c(c1)OCCCO2.
What is the InChIKey of [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-fluoro-3-pyridinyl)methyl]hydrazine?
The InChIKey is KRXOHWZGFNGIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c16-12-6-11(8-18-9-12)15(19-17)10-2-3-13-14(7-10)21-5-1-4-20-13/h2-3,6-9,15,19H,1,4-5,17H2.
What are the key properties of [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-fluoro-3-pyridinyl)methyl]hydrazine?
[3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-fluoro-3-pyridinyl)methyl]hydrazine has a molecular weight of 289.31 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dihydro-2H-1,5-benzodioxepin-7-yl-(5-fluoro-3-pyridinyl)methyl]hydrazine is sourced from PubChem (CID 105302944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).