[4-[(2-chloro-4-fluorophenoxy)methyl]-2-pyridinyl]hydrazine

C12H11ClFN3O — CID 62465712

IUPAC[4-[(2-chloro-4-fluorophenoxy)methyl]-2-pyridinyl]hydrazine
SMILESNNc1cc(COc2ccc(F)cc2Cl)ccn1
InChIInChI=1S/C12H11ClFN3O/c13-10-6-9(14)1-2-11(10)18-7-8-3-4-16-12(5-8)17-15/h1-6H,7,15H2,(H,16,17)
InChIKeyAEFOZWUNXNNFIM-UHFFFAOYSA-N
MW267.69 g/mol
LogP2.74
Rot. Bonds4

About [4-[(2-chloro-4-fluorophenoxy)methyl]-2-pyridinyl]hydrazine

[4-[(2-chloro-4-fluorophenoxy)methyl]-2-pyridinyl]hydrazine (PubChem CID 62465712) has the molecular formula C12H11ClFN3O and a molecular weight of 267.69 g/mol. Its IUPAC name is [4-[(2-chloro-4-fluorophenoxy)methyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[4-[(2-chloro-4-fluorophenoxy)methyl]-2-pyridinyl]hydrazine
PubChem CID62465712
Molecular FormulaC12H11ClFN3O
Molecular Weight267.69 g/mol
Exact Mass267.06
IUPAC Name[4-[(2-chloro-4-fluorophenoxy)methyl]-2-pyridinyl]hydrazine
SMILESNNc1cc(COc2ccc(F)cc2Cl)ccn1
InChIInChI=1S/C12H11ClFN3O/c13-10-6-9(14)1-2-11(10)18-7-8-3-4-16-12(5-8)17-15/h1-6H,7,15H2,(H,16,17)
InChIKeyAEFOZWUNXNNFIM-UHFFFAOYSA-N
XLogP2.74
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.69
LogP ≤ 52.74
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 [4-[(2-chloro-4-fluorophenoxy)methyl]-2-pyridinyl]hydrazine?
The IUPAC name of [4-[(2-chloro-4-fluorophenoxy)methyl]-2-pyridinyl]hydrazine (CID 62465712) is [4-[(2-chloro-4-fluorophenoxy)methyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [4-[(2-chloro-4-fluorophenoxy)methyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [4-[(2-chloro-4-fluorophenoxy)methyl]-2-pyridinyl]hydrazine is NNc1cc(COc2ccc(F)cc2Cl)ccn1.
What is the InChIKey of [4-[(2-chloro-4-fluorophenoxy)methyl]-2-pyridinyl]hydrazine?
The InChIKey is AEFOZWUNXNNFIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFN3O/c13-10-6-9(14)1-2-11(10)18-7-8-3-4-16-12(5-8)17-15/h1-6H,7,15H2,(H,16,17).
What are the key properties of [4-[(2-chloro-4-fluorophenoxy)methyl]-2-pyridinyl]hydrazine?
[4-[(2-chloro-4-fluorophenoxy)methyl]-2-pyridinyl]hydrazine has a molecular weight of 267.69 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-chloro-4-fluorophenoxy)methyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 62465712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).