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

C14H14FN3O2 — CID 105335368

IUPAC[2,3-dihydro-1,4-benzodioxin-5-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine
SMILESNNC(c1ccncc1F)c1cccc2c1OCCO2
InChIInChI=1S/C14H14FN3O2/c15-11-8-17-5-4-9(11)13(18-16)10-2-1-3-12-14(10)20-7-6-19-12/h1-5,8,13,18H,6-7,16H2
InChIKeyIPMCKTSITPQDHM-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.54
Rot. Bonds3

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

[2,3-dihydro-1,4-benzodioxin-5-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine (PubChem CID 105335368) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is [2,3-dihydro-1,4-benzodioxin-5-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine.

Molecular Properties

Compound Name[2,3-dihydro-1,4-benzodioxin-5-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine
PubChem CID105335368
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name[2,3-dihydro-1,4-benzodioxin-5-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine
SMILESNNC(c1ccncc1F)c1cccc2c1OCCO2
InChIInChI=1S/C14H14FN3O2/c15-11-8-17-5-4-9(11)13(18-16)10-2-1-3-12-14(10)20-7-6-19-12/h1-5,8,13,18H,6-7,16H2
InChIKeyIPMCKTSITPQDHM-UHFFFAOYSA-N
XLogP1.54
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.54
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-fluoro-3-methylphenyl)-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105335451
[(2-chloro-3-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105335384
[(2,3-dichlorophenyl)-(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]hydrazine
CID 105301665
[2,3-dihydro-1,4-benzodioxin-5-yl-(2-methylpyrazol-3-yl)methyl]hydrazine
CID 105307421
[1-benzothiophen-7-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105258549
[(3-fluoro-4-pyridinyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105258630
[(3-fluorophenyl)-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105193032
[2,3-dihydro-1,4-benzodioxin-5-yl(thiophen-3-yl)methyl]hydrazine
CID 105311989
[2,3-dihydro-1-benzofuran-7-yl-(3-methoxy-4-pyridinyl)methyl]hydrazine
CID 105341902
[(3-fluoro-4-pyridinyl)-(2-methylfuran-3-yl)methyl]hydrazine
CID 105269064
[(7-fluoro-1-benzofuran-2-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105258723
[2,3-dihydro-1,4-benzodioxin-5-yl-(2-propylpyrazol-3-yl)methyl]hydrazine
CID 105306987

Frequently Asked Questions

What is the IUPAC name of [2,3-dihydro-1,4-benzodioxin-5-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine?
The IUPAC name of [2,3-dihydro-1,4-benzodioxin-5-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine (CID 105335368) is [2,3-dihydro-1,4-benzodioxin-5-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine.
What is the SMILES notation for [2,3-dihydro-1,4-benzodioxin-5-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine?
The canonical SMILES for [2,3-dihydro-1,4-benzodioxin-5-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine is NNC(c1ccncc1F)c1cccc2c1OCCO2.
What is the InChIKey of [2,3-dihydro-1,4-benzodioxin-5-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine?
The InChIKey is IPMCKTSITPQDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c15-11-8-17-5-4-9(11)13(18-16)10-2-1-3-12-14(10)20-7-6-19-12/h1-5,8,13,18H,6-7,16H2.
What are the key properties of [2,3-dihydro-1,4-benzodioxin-5-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine?
[2,3-dihydro-1,4-benzodioxin-5-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine has a molecular weight of 275.28 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dihydro-1,4-benzodioxin-5-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine is sourced from PubChem (CID 105335368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).