[5-chloro-6-[(2-fluoro-5-methylphenoxy)methyl]-2-pyridinyl]hydrazine

C13H13ClFN3O — CID 64855650

IUPAC[5-chloro-6-[(2-fluoro-5-methylphenoxy)methyl]-2-pyridinyl]hydrazine
SMILESCc1ccc(F)c(OCc2nc(NN)ccc2Cl)c1
InChIInChI=1S/C13H13ClFN3O/c1-8-2-4-10(15)12(6-8)19-7-11-9(14)3-5-13(17-11)18-16/h2-6H,7,16H2,1H3,(H,17,18)
InChIKeyOOCDPQILKCQQKW-UHFFFAOYSA-N
MW281.72 g/mol
LogP3.05
Rot. Bonds4

About [5-chloro-6-[(2-fluoro-5-methylphenoxy)methyl]-2-pyridinyl]hydrazine

[5-chloro-6-[(2-fluoro-5-methylphenoxy)methyl]-2-pyridinyl]hydrazine (PubChem CID 64855650) has the molecular formula C13H13ClFN3O and a molecular weight of 281.72 g/mol. Its IUPAC name is [5-chloro-6-[(2-fluoro-5-methylphenoxy)methyl]-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name[5-chloro-6-[(2-fluoro-5-methylphenoxy)methyl]-2-pyridinyl]hydrazine
PubChem CID64855650
Molecular FormulaC13H13ClFN3O
Molecular Weight281.72 g/mol
Exact Mass281.07
IUPAC Name[5-chloro-6-[(2-fluoro-5-methylphenoxy)methyl]-2-pyridinyl]hydrazine
SMILESCc1ccc(F)c(OCc2nc(NN)ccc2Cl)c1
InChIInChI=1S/C13H13ClFN3O/c1-8-2-4-10(15)12(6-8)19-7-11-9(14)3-5-13(17-11)18-16/h2-6H,7,16H2,1H3,(H,17,18)
InChIKeyOOCDPQILKCQQKW-UHFFFAOYSA-N
XLogP3.05
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 53.05
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-[(2-fluoro-5-methylphenoxy)methyl]-2-pyridinyl]hydrazine?
The IUPAC name of [5-chloro-6-[(2-fluoro-5-methylphenoxy)methyl]-2-pyridinyl]hydrazine (CID 64855650) is [5-chloro-6-[(2-fluoro-5-methylphenoxy)methyl]-2-pyridinyl]hydrazine.
What is the SMILES notation for [5-chloro-6-[(2-fluoro-5-methylphenoxy)methyl]-2-pyridinyl]hydrazine?
The canonical SMILES for [5-chloro-6-[(2-fluoro-5-methylphenoxy)methyl]-2-pyridinyl]hydrazine is Cc1ccc(F)c(OCc2nc(NN)ccc2Cl)c1.
What is the InChIKey of [5-chloro-6-[(2-fluoro-5-methylphenoxy)methyl]-2-pyridinyl]hydrazine?
The InChIKey is OOCDPQILKCQQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O/c1-8-2-4-10(15)12(6-8)19-7-11-9(14)3-5-13(17-11)18-16/h2-6H,7,16H2,1H3,(H,17,18).
What are the key properties of [5-chloro-6-[(2-fluoro-5-methylphenoxy)methyl]-2-pyridinyl]hydrazine?
[5-chloro-6-[(2-fluoro-5-methylphenoxy)methyl]-2-pyridinyl]hydrazine has a molecular weight of 281.72 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-[(2-fluoro-5-methylphenoxy)methyl]-2-pyridinyl]hydrazine is sourced from PubChem (CID 64855650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).