[2-(2,5-difluorophenyl)-1-pyridin-4-ylethyl]hydrazine

C13H13F2N3 — CID 105196408

IUPAC[2-(2,5-difluorophenyl)-1-pyridin-4-ylethyl]hydrazine
SMILESNNC(Cc1cc(F)ccc1F)c1ccncc1
InChIInChI=1S/C13H13F2N3/c14-11-1-2-12(15)10(7-11)8-13(18-16)9-3-5-17-6-4-9/h1-7,13,18H,8,16H2
InChIKeyDZRGDQXNYHIHFR-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.11
Rot. Bonds4

About [2-(2,5-difluorophenyl)-1-pyridin-4-ylethyl]hydrazine

[2-(2,5-difluorophenyl)-1-pyridin-4-ylethyl]hydrazine (PubChem CID 105196408) has the molecular formula C13H13F2N3 and a molecular weight of 249.26 g/mol. Its IUPAC name is [2-(2,5-difluorophenyl)-1-pyridin-4-ylethyl]hydrazine.

Molecular Properties

Compound Name[2-(2,5-difluorophenyl)-1-pyridin-4-ylethyl]hydrazine
PubChem CID105196408
Molecular FormulaC13H13F2N3
Molecular Weight249.26 g/mol
Exact Mass249.11
IUPAC Name[2-(2,5-difluorophenyl)-1-pyridin-4-ylethyl]hydrazine
SMILESNNC(Cc1cc(F)ccc1F)c1ccncc1
InChIInChI=1S/C13H13F2N3/c14-11-1-2-12(15)10(7-11)8-13(18-16)9-3-5-17-6-4-9/h1-7,13,18H,8,16H2
InChIKeyDZRGDQXNYHIHFR-UHFFFAOYSA-N
XLogP2.11
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 [2-(2,5-difluorophenyl)-1-pyridin-4-ylethyl]hydrazine?
The IUPAC name of [2-(2,5-difluorophenyl)-1-pyridin-4-ylethyl]hydrazine (CID 105196408) is [2-(2,5-difluorophenyl)-1-pyridin-4-ylethyl]hydrazine.
What is the SMILES notation for [2-(2,5-difluorophenyl)-1-pyridin-4-ylethyl]hydrazine?
The canonical SMILES for [2-(2,5-difluorophenyl)-1-pyridin-4-ylethyl]hydrazine is NNC(Cc1cc(F)ccc1F)c1ccncc1.
What is the InChIKey of [2-(2,5-difluorophenyl)-1-pyridin-4-ylethyl]hydrazine?
The InChIKey is DZRGDQXNYHIHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3/c14-11-1-2-12(15)10(7-11)8-13(18-16)9-3-5-17-6-4-9/h1-7,13,18H,8,16H2.
What are the key properties of [2-(2,5-difluorophenyl)-1-pyridin-4-ylethyl]hydrazine?
[2-(2,5-difluorophenyl)-1-pyridin-4-ylethyl]hydrazine has a molecular weight of 249.26 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-difluorophenyl)-1-pyridin-4-ylethyl]hydrazine is sourced from PubChem (CID 105196408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).