[1-(2-chloro-4-pyridinyl)-2-phenylethyl]hydrazine

C13H14ClN3 — CID 105252599

IUPAC[1-(2-chloro-4-pyridinyl)-2-phenylethyl]hydrazine
SMILESNNC(Cc1ccccc1)c1ccnc(Cl)c1
InChIInChI=1S/C13H14ClN3/c14-13-9-11(6-7-16-13)12(17-15)8-10-4-2-1-3-5-10/h1-7,9,12,17H,8,15H2
InChIKeyJETVKVOBITURAD-UHFFFAOYSA-N
MW247.73 g/mol
LogP2.48
Rot. Bonds4

About [1-(2-chloro-4-pyridinyl)-2-phenylethyl]hydrazine

[1-(2-chloro-4-pyridinyl)-2-phenylethyl]hydrazine (PubChem CID 105252599) has the molecular formula C13H14ClN3 and a molecular weight of 247.73 g/mol. Its IUPAC name is [1-(2-chloro-4-pyridinyl)-2-phenylethyl]hydrazine.

Molecular Properties

Compound Name[1-(2-chloro-4-pyridinyl)-2-phenylethyl]hydrazine
PubChem CID105252599
Molecular FormulaC13H14ClN3
Molecular Weight247.73 g/mol
Exact Mass247.09
IUPAC Name[1-(2-chloro-4-pyridinyl)-2-phenylethyl]hydrazine
SMILESNNC(Cc1ccccc1)c1ccnc(Cl)c1
InChIInChI=1S/C13H14ClN3/c14-13-9-11(6-7-16-13)12(17-15)8-10-4-2-1-3-5-10/h1-7,9,12,17H,8,15H2
InChIKeyJETVKVOBITURAD-UHFFFAOYSA-N
XLogP2.48
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[2-(2-chlorophenyl)-1-(2-chloro-4-pyridinyl)ethyl]hydrazine
CID 105252752
(2-phenyl-1-pyridin-4-ylethyl)hydrazine
CID 105196343
[1-(2-chloro-4-pyridinyl)-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine
CID 105252663
1-(2-chloro-4-pyridinyl)but-3-enylhydrazine
CID 105252780
[2-(4-bromo-2-chlorophenyl)-1-(2-chloro-4-pyridinyl)ethyl]hydrazine
CID 105252774
[1-(2-chloro-4-pyridinyl)-2-cyclopropylethyl]hydrazine
CID 105252594
[1-(2-chloro-4-pyridinyl)-3-methylpentyl]hydrazine
CID 105252813
[1-(2-chloro-4-pyridinyl)-2-propan-2-yloxyethyl]hydrazine
CID 105252867
[1-(6-chloro-3-pyridinyl)-2-pyridin-3-ylethyl]hydrazine
CID 105253061
[1-(2-chloro-4-pyridinyl)-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethyl]hydrazine
CID 105252827
[2-(3,4-dichlorophenyl)-1-phenylethyl]hydrazine
CID 105199186
[1-(2-chlorofuran-3-yl)-2-phenylethyl]hydrazine
CID 106694144

Frequently Asked Questions

What is the IUPAC name of [1-(2-chloro-4-pyridinyl)-2-phenylethyl]hydrazine?
The IUPAC name of [1-(2-chloro-4-pyridinyl)-2-phenylethyl]hydrazine (CID 105252599) is [1-(2-chloro-4-pyridinyl)-2-phenylethyl]hydrazine.
What is the SMILES notation for [1-(2-chloro-4-pyridinyl)-2-phenylethyl]hydrazine?
The canonical SMILES for [1-(2-chloro-4-pyridinyl)-2-phenylethyl]hydrazine is NNC(Cc1ccccc1)c1ccnc(Cl)c1.
What is the InChIKey of [1-(2-chloro-4-pyridinyl)-2-phenylethyl]hydrazine?
The InChIKey is JETVKVOBITURAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3/c14-13-9-11(6-7-16-13)12(17-15)8-10-4-2-1-3-5-10/h1-7,9,12,17H,8,15H2.
What are the key properties of [1-(2-chloro-4-pyridinyl)-2-phenylethyl]hydrazine?
[1-(2-chloro-4-pyridinyl)-2-phenylethyl]hydrazine has a molecular weight of 247.73 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-chloro-4-pyridinyl)-2-phenylethyl]hydrazine is sourced from PubChem (CID 105252599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).