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

C14H14FN3O2 — CID 105230225

IUPAC[2,3-dihydro-1,4-benzodioxin-3-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine
SMILESNNC(c1ccncc1F)C1COc2ccccc2O1
InChIInChI=1S/C14H14FN3O2/c15-10-7-17-6-5-9(10)14(18-16)13-8-19-11-3-1-2-4-12(11)20-13/h1-7,13-14,18H,8,16H2
InChIKeyLQODVVGXKNWVNF-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.57
Rot. Bonds3

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

[2,3-dihydro-1,4-benzodioxin-3-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine (PubChem CID 105230225) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is [2,3-dihydro-1,4-benzodioxin-3-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine.

Molecular Properties

Compound Name[2,3-dihydro-1,4-benzodioxin-3-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine
PubChem CID105230225
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name[2,3-dihydro-1,4-benzodioxin-3-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine
SMILESNNC(c1ccncc1F)C1COc2ccccc2O1
InChIInChI=1S/C14H14FN3O2/c15-10-7-17-6-5-9(10)14(18-16)13-8-19-11-3-1-2-4-12(11)20-13/h1-7,13-14,18H,8,16H2
InChIKeyLQODVVGXKNWVNF-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
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

3-[2,3-dihydro-1,4-benzodioxin-3-yl(hydrazinyl)methyl]pyridin-4-amine
CID 105230197
[(2,6-difluorophenyl)-(2,3-dihydro-1,4-benzodioxin-3-yl)methyl]hydrazine
CID 105230172
[2,3-dihydro-1,4-benzodioxin-3-yl-(5-fluoro-2-methylphenyl)methyl]hydrazine
CID 105230157
[(3-fluoro-4-pyridinyl)-(oxan-2-yl)methyl]hydrazine
CID 105335357
2,3-dihydro-1-benzofuran-2-yl-(3-fluoro-4-pyridinyl)methanol
CID 104738109
[3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105245086
[2,3-dihydro-1,4-benzodioxin-5-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105335368
2-(2,6-difluorophenyl)-1-(2,3-dihydro-1,4-benzodioxin-3-yl)ethanamine
CID 114932131
(1R)-1-[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]-2-pyridin-4-ylethanamine
CID 124513819
[cyclohexyl(2,3-dihydro-1,4-benzodioxin-3-yl)methyl]hydrazine
CID 105230206
2,3-dihydro-1,4-benzodioxin-3-yl-(2,3,4-trifluorophenyl)methanol
CID 65350657
[1-(2,3-dihydro-1,4-benzodioxin-3-yl)-2-methylbutyl]hydrazine
CID 105230267

Frequently Asked Questions

What is the IUPAC name of [2,3-dihydro-1,4-benzodioxin-3-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine?
The IUPAC name of [2,3-dihydro-1,4-benzodioxin-3-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine (CID 105230225) is [2,3-dihydro-1,4-benzodioxin-3-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine.
What is the SMILES notation for [2,3-dihydro-1,4-benzodioxin-3-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine?
The canonical SMILES for [2,3-dihydro-1,4-benzodioxin-3-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine is NNC(c1ccncc1F)C1COc2ccccc2O1.
What is the InChIKey of [2,3-dihydro-1,4-benzodioxin-3-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine?
The InChIKey is LQODVVGXKNWVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c15-10-7-17-6-5-9(10)14(18-16)13-8-19-11-3-1-2-4-12(11)20-13/h1-7,13-14,18H,8,16H2.
What are the key properties of [2,3-dihydro-1,4-benzodioxin-3-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine?
[2,3-dihydro-1,4-benzodioxin-3-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine has a molecular weight of 275.28 g/mol, XLogP of 1.57, 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-3-yl-(3-fluoro-4-pyridinyl)methyl]hydrazine is sourced from PubChem (CID 105230225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).