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

C12H10ClF2N3O — CID 55127598

IUPAC[5-chloro-6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]hydrazine
SMILESNNc1ccc(Cl)c(COc2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H10ClF2N3O/c13-8-2-4-12(18-16)17-11(8)6-19-7-1-3-9(14)10(15)5-7/h1-5H,6,16H2,(H,17,18)
InChIKeyQCLHVGHVTKYFGB-UHFFFAOYSA-N
MW285.68 g/mol
LogP2.88
Rot. Bonds4

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

[5-chloro-6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]hydrazine (PubChem CID 55127598) has the molecular formula C12H10ClF2N3O and a molecular weight of 285.68 g/mol. Its IUPAC name is [5-chloro-6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[5-chloro-6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]hydrazine
PubChem CID55127598
Molecular FormulaC12H10ClF2N3O
Molecular Weight285.68 g/mol
Exact Mass285.05
IUPAC Name[5-chloro-6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]hydrazine
SMILESNNc1ccc(Cl)c(COc2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H10ClF2N3O/c13-8-2-4-12(18-16)17-11(8)6-19-7-1-3-9(14)10(15)5-7/h1-5H,6,16H2,(H,17,18)
InChIKeyQCLHVGHVTKYFGB-UHFFFAOYSA-N
XLogP2.88
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.68
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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 [5-chloro-6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]hydrazine?
The IUPAC name of [5-chloro-6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]hydrazine (CID 55127598) is [5-chloro-6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [5-chloro-6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [5-chloro-6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]hydrazine is NNc1ccc(Cl)c(COc2ccc(F)c(F)c2)n1.
What is the InChIKey of [5-chloro-6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]hydrazine?
The InChIKey is QCLHVGHVTKYFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2N3O/c13-8-2-4-12(18-16)17-11(8)6-19-7-1-3-9(14)10(15)5-7/h1-5H,6,16H2,(H,17,18).
What are the key properties of [5-chloro-6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]hydrazine?
[5-chloro-6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]hydrazine has a molecular weight of 285.68 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 55127598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).