[2-[(2,3,5,6-tetrafluorophenoxy)methyl]-4-pyridinyl]hydrazine

C12H9F4N3O — CID 103290223

IUPAC[2-[(2,3,5,6-tetrafluorophenoxy)methyl]-4-pyridinyl]hydrazine
SMILESNNc1ccnc(COc2c(F)c(F)cc(F)c2F)c1
InChIInChI=1S/C12H9F4N3O/c13-8-4-9(14)11(16)12(10(8)15)20-5-7-3-6(19-17)1-2-18-7/h1-4H,5,17H2,(H,18,19)
InChIKeyHSTZGJPOJCAUCY-UHFFFAOYSA-N
MW287.22 g/mol
LogP2.50
Rot. Bonds4

About [2-[(2,3,5,6-tetrafluorophenoxy)methyl]-4-pyridinyl]hydrazine

[2-[(2,3,5,6-tetrafluorophenoxy)methyl]-4-pyridinyl]hydrazine (PubChem CID 103290223) has the molecular formula C12H9F4N3O and a molecular weight of 287.22 g/mol. Its IUPAC name is [2-[(2,3,5,6-tetrafluorophenoxy)methyl]-4-pyridinyl]hydrazine.

Molecular Properties

Compound Name[2-[(2,3,5,6-tetrafluorophenoxy)methyl]-4-pyridinyl]hydrazine
PubChem CID103290223
Molecular FormulaC12H9F4N3O
Molecular Weight287.22 g/mol
Exact Mass287.07
IUPAC Name[2-[(2,3,5,6-tetrafluorophenoxy)methyl]-4-pyridinyl]hydrazine
SMILESNNc1ccnc(COc2c(F)c(F)cc(F)c2F)c1
InChIInChI=1S/C12H9F4N3O/c13-8-4-9(14)11(16)12(10(8)15)20-5-7-3-6(19-17)1-2-18-7/h1-4H,5,17H2,(H,18,19)
InChIKeyHSTZGJPOJCAUCY-UHFFFAOYSA-N
XLogP2.50
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.22
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-[(2,5-difluorophenoxy)methyl]-4-pyridinyl]hydrazine
CID 79260041
[6-[(2,3,5,6-tetrafluorophenoxy)methyl]-2-pyridinyl]hydrazine
CID 103290222
[2-[(2-bromo-4-chloro-5-fluorophenoxy)methyl]-4-pyridinyl]hydrazine
CID 114042777
[2-[(4-iodophenoxy)methyl]-4-pyridinyl]hydrazine
CID 79260216
[2-(propoxymethyl)-4-pyridinyl]hydrazine
CID 79259211
[2-[(3,4-dimethylphenoxy)methyl]-4-pyridinyl]hydrazine
CID 79260213
[2-[(5-chloro-2-methylphenoxy)methyl]-4-pyridinyl]hydrazine
CID 79260404
[2-(2-methoxyethoxymethyl)-4-pyridinyl]hydrazine
CID 79259487
[2-[(2-tert-butyl-4-methylphenoxy)methyl]-4-pyridinyl]hydrazine
CID 79262186
[2-[(2,4-dimethylphenoxy)methyl]-4-pyridinyl]hydrazine
CID 79260395
[2-[(1-bromonaphthalen-2-yl)oxymethyl]-4-pyridinyl]hydrazine
CID 79262180
[2-(2-methylbutan-2-yloxymethyl)-4-pyridinyl]hydrazine
CID 79260127

Frequently Asked Questions

What is the IUPAC name of [2-[(2,3,5,6-tetrafluorophenoxy)methyl]-4-pyridinyl]hydrazine?
The IUPAC name of [2-[(2,3,5,6-tetrafluorophenoxy)methyl]-4-pyridinyl]hydrazine (CID 103290223) is [2-[(2,3,5,6-tetrafluorophenoxy)methyl]-4-pyridinyl]hydrazine.
What is the SMILES notation for [2-[(2,3,5,6-tetrafluorophenoxy)methyl]-4-pyridinyl]hydrazine?
The canonical SMILES for [2-[(2,3,5,6-tetrafluorophenoxy)methyl]-4-pyridinyl]hydrazine is NNc1ccnc(COc2c(F)c(F)cc(F)c2F)c1.
What is the InChIKey of [2-[(2,3,5,6-tetrafluorophenoxy)methyl]-4-pyridinyl]hydrazine?
The InChIKey is HSTZGJPOJCAUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F4N3O/c13-8-4-9(14)11(16)12(10(8)15)20-5-7-3-6(19-17)1-2-18-7/h1-4H,5,17H2,(H,18,19).
What are the key properties of [2-[(2,3,5,6-tetrafluorophenoxy)methyl]-4-pyridinyl]hydrazine?
[2-[(2,3,5,6-tetrafluorophenoxy)methyl]-4-pyridinyl]hydrazine has a molecular weight of 287.22 g/mol, XLogP of 2.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,3,5,6-tetrafluorophenoxy)methyl]-4-pyridinyl]hydrazine is sourced from PubChem (CID 103290223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).