[(4-ethoxyoxan-4-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine

C13H20FN3O2 — CID 105276862

IUPAC[(4-ethoxyoxan-4-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine
SMILESCCOC1(C(NN)c2ccncc2F)CCOCC1
InChIInChI=1S/C13H20FN3O2/c1-2-19-13(4-7-18-8-5-13)12(17-15)10-3-6-16-9-11(10)14/h3,6,9,12,17H,2,4-5,7-8,15H2,1H3
InChIKeyZVQWXUYHMZWPRM-UHFFFAOYSA-N
MW269.32 g/mol
LogP1.31
Rot. Bonds5

About [(4-ethoxyoxan-4-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine

[(4-ethoxyoxan-4-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine (PubChem CID 105276862) has the molecular formula C13H20FN3O2 and a molecular weight of 269.32 g/mol. Its IUPAC name is [(4-ethoxyoxan-4-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine.

Molecular Properties

Compound Name[(4-ethoxyoxan-4-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine
PubChem CID105276862
Molecular FormulaC13H20FN3O2
Molecular Weight269.32 g/mol
Exact Mass269.15
IUPAC Name[(4-ethoxyoxan-4-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine
SMILESCCOC1(C(NN)c2ccncc2F)CCOCC1
InChIInChI=1S/C13H20FN3O2/c1-2-19-13(4-7-18-8-5-13)12(17-15)10-3-6-16-9-11(10)14/h3,6,9,12,17H,2,4-5,7-8,15H2,1H3
InChIKeyZVQWXUYHMZWPRM-UHFFFAOYSA-N
XLogP1.31
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.32
LogP ≤ 51.31
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-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-pyridinyl)methyl]hydrazine
CID 105277741
[(1-ethoxycyclopentyl)-(4-methyl-3-pyridinyl)methyl]hydrazine
CID 105275756
[(4-ethoxyoxan-4-yl)-(4-fluoro-2-methylphenyl)methyl]hydrazine
CID 105276821
[(4-ethoxyoxan-4-yl)-(2-methylphenyl)methyl]hydrazine
CID 105276746
[1-(4-ethoxyoxan-4-yl)-2-pyridin-3-ylethyl]hydrazine
CID 105276863
[(3-fluoro-4-pyridinyl)-(1-methoxy-3-methylcyclohexyl)methyl]hydrazine
CID 105277528
[(4-chloro-2-fluorophenyl)-(1-ethoxycyclohexyl)methyl]hydrazine
CID 105276350
[(1-ethoxycyclohexyl)-(2,3,4-trifluorophenyl)methyl]hydrazine
CID 105276212
[1-benzothiophen-7-yl-(4-ethoxyoxan-4-yl)methyl]hydrazine
CID 105276799
[(5-chlorothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine
CID 105276892
[(3-bromothiophen-2-yl)-(4-ethoxyoxan-4-yl)methyl]hydrazine
CID 105276955
(1-ethoxy-3-methylcyclohexyl)-(3-fluoro-4-pyridinyl)methanamine
CID 116768147

Frequently Asked Questions

What is the IUPAC name of [(4-ethoxyoxan-4-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine?
The IUPAC name of [(4-ethoxyoxan-4-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine (CID 105276862) is [(4-ethoxyoxan-4-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine.
What is the SMILES notation for [(4-ethoxyoxan-4-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine?
The canonical SMILES for [(4-ethoxyoxan-4-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine is CCOC1(C(NN)c2ccncc2F)CCOCC1.
What is the InChIKey of [(4-ethoxyoxan-4-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine?
The InChIKey is ZVQWXUYHMZWPRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN3O2/c1-2-19-13(4-7-18-8-5-13)12(17-15)10-3-6-16-9-11(10)14/h3,6,9,12,17H,2,4-5,7-8,15H2,1H3.
What are the key properties of [(4-ethoxyoxan-4-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine?
[(4-ethoxyoxan-4-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine has a molecular weight of 269.32 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4-ethoxyoxan-4-yl)-(3-fluoro-4-pyridinyl)methyl]hydrazine is sourced from PubChem (CID 105276862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).