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

C12H8F5N3O — CID 79231511

IUPAC[6-[(2,3,4,5,6-pentafluorophenoxy)methyl]-2-pyridinyl]hydrazine
SMILESNNc1cccc(COc2c(F)c(F)c(F)c(F)c2F)n1
InChIInChI=1S/C12H8F5N3O/c13-7-8(14)10(16)12(11(17)9(7)15)21-4-5-2-1-3-6(19-5)20-18/h1-3H,4,18H2,(H,19,20)
InChIKeyNGAPYUOPBRUYLM-UHFFFAOYSA-N
MW305.21 g/mol
LogP2.64
Rot. Bonds4

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

[6-[(2,3,4,5,6-pentafluorophenoxy)methyl]-2-pyridinyl]hydrazine (PubChem CID 79231511) has the molecular formula C12H8F5N3O and a molecular weight of 305.21 g/mol. Its IUPAC name is [6-[(2,3,4,5,6-pentafluorophenoxy)methyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[6-[(2,3,4,5,6-pentafluorophenoxy)methyl]-2-pyridinyl]hydrazine
PubChem CID79231511
Molecular FormulaC12H8F5N3O
Molecular Weight305.21 g/mol
Exact Mass305.06
IUPAC Name[6-[(2,3,4,5,6-pentafluorophenoxy)methyl]-2-pyridinyl]hydrazine
SMILESNNc1cccc(COc2c(F)c(F)c(F)c(F)c2F)n1
InChIInChI=1S/C12H8F5N3O/c13-7-8(14)10(16)12(11(17)9(7)15)21-4-5-2-1-3-6(19-5)20-18/h1-3H,4,18H2,(H,19,20)
InChIKeyNGAPYUOPBRUYLM-UHFFFAOYSA-N
XLogP2.64
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.21
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [6-[(2,3,4,5,6-pentafluorophenoxy)methyl]-2-pyridinyl]hydrazine?
The IUPAC name of [6-[(2,3,4,5,6-pentafluorophenoxy)methyl]-2-pyridinyl]hydrazine (CID 79231511) is [6-[(2,3,4,5,6-pentafluorophenoxy)methyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [6-[(2,3,4,5,6-pentafluorophenoxy)methyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [6-[(2,3,4,5,6-pentafluorophenoxy)methyl]-2-pyridinyl]hydrazine is NNc1cccc(COc2c(F)c(F)c(F)c(F)c2F)n1.
What is the InChIKey of [6-[(2,3,4,5,6-pentafluorophenoxy)methyl]-2-pyridinyl]hydrazine?
The InChIKey is NGAPYUOPBRUYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F5N3O/c13-7-8(14)10(16)12(11(17)9(7)15)21-4-5-2-1-3-6(19-5)20-18/h1-3H,4,18H2,(H,19,20).
What are the key properties of [6-[(2,3,4,5,6-pentafluorophenoxy)methyl]-2-pyridinyl]hydrazine?
[6-[(2,3,4,5,6-pentafluorophenoxy)methyl]-2-pyridinyl]hydrazine has a molecular weight of 305.21 g/mol, XLogP of 2.64, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2,3,4,5,6-pentafluorophenoxy)methyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 79231511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).