[2-(3-chloro-2-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine

C15H17ClFN3O — CID 105264388

IUPAC[2-(3-chloro-2-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine
SMILESCCOc1cncc(C(Cc2cccc(Cl)c2F)NN)c1
InChIInChI=1S/C15H17ClFN3O/c1-2-21-12-6-11(8-19-9-12)14(20-18)7-10-4-3-5-13(16)15(10)17/h3-6,8-9,14,20H,2,7,18H2,1H3
InChIKeyJQCHEBBLQSZWBF-UHFFFAOYSA-N
MW309.77 g/mol
LogP3.02
Rot. Bonds6

About [2-(3-chloro-2-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine

[2-(3-chloro-2-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine (PubChem CID 105264388) has the molecular formula C15H17ClFN3O and a molecular weight of 309.77 g/mol. Its IUPAC name is [2-(3-chloro-2-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(3-chloro-2-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine
PubChem CID105264388
Molecular FormulaC15H17ClFN3O
Molecular Weight309.77 g/mol
Exact Mass309.10
IUPAC Name[2-(3-chloro-2-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine
SMILESCCOc1cncc(C(Cc2cccc(Cl)c2F)NN)c1
InChIInChI=1S/C15H17ClFN3O/c1-2-21-12-6-11(8-19-9-12)14(20-18)7-10-4-3-5-13(16)15(10)17/h3-6,8-9,14,20H,2,7,18H2,1H3
InChIKeyJQCHEBBLQSZWBF-UHFFFAOYSA-N
XLogP3.02
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.77
LogP ≤ 53.02
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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Related Compounds

2-(3-chloro-2-fluorophenyl)-N-ethyl-1-(5-methoxy-3-pyridinyl)ethanamine
CID 82790001
[2-(3-chloro-2-fluorophenyl)-1-(4-methoxyphenyl)ethyl]hydrazine
CID 105264387
[2-(3-chloro-2-fluorophenyl)-1-(3,5-dichlorophenyl)ethyl]hydrazine
CID 102868631
[2-(3-chlorophenyl)sulfanyl-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine
CID 105237899
[2-(3-chloro-2-fluorophenyl)-1-(3-ethylphenyl)ethyl]hydrazine
CID 105264293
1-(5-bromo-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)-N-methylethanamine
CID 102857803
3-[2-(3-chloro-2-fluorophenyl)-1-hydrazinylethyl]-5-methylpyridin-2-amine
CID 105264497
[(2,3-difluorophenyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 105329980
[2-(3-chloro-2-fluorophenyl)-1-(3-propylphenyl)ethyl]hydrazine
CID 105264454
[1-(5-ethoxy-3-pyridinyl)-2-thiophen-3-ylethyl]hydrazine
CID 105329994
[(3-chloro-2-pyridinyl)-(5-ethoxy-3-pyridinyl)methyl]hydrazine
CID 103445839
2-(3-chloro-2-fluorophenyl)-1-(4-ethoxyphenyl)ethanamine
CID 82806691

Frequently Asked Questions

What is the IUPAC name of [2-(3-chloro-2-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine?
The IUPAC name of [2-(3-chloro-2-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine (CID 105264388) is [2-(3-chloro-2-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine.
What is the SMILES notation for [2-(3-chloro-2-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine?
The canonical SMILES for [2-(3-chloro-2-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine is CCOc1cncc(C(Cc2cccc(Cl)c2F)NN)c1.
What is the InChIKey of [2-(3-chloro-2-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine?
The InChIKey is JQCHEBBLQSZWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClFN3O/c1-2-21-12-6-11(8-19-9-12)14(20-18)7-10-4-3-5-13(16)15(10)17/h3-6,8-9,14,20H,2,7,18H2,1H3.
What are the key properties of [2-(3-chloro-2-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine?
[2-(3-chloro-2-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine has a molecular weight of 309.77 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-chloro-2-fluorophenyl)-1-(5-ethoxy-3-pyridinyl)ethyl]hydrazine is sourced from PubChem (CID 105264388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).