[6-bromo-2-(difluoromethyl)-8-ethylquinolin-4-yl]hydrazine

C12H12BrF2N3 — CID 81288815

IUPAC[6-bromo-2-(difluoromethyl)-8-ethylquinolin-4-yl]hydrazine
SMILESCCc1cc(Br)cc2c(NN)cc(C(F)F)nc12
InChIInChI=1S/C12H12BrF2N3/c1-2-6-3-7(13)4-8-9(18-16)5-10(12(14)15)17-11(6)8/h3-5,12H,2,16H2,1H3,(H,17,18)
InChIKeyJGJWLYBOJUSLGG-UHFFFAOYSA-N
MW316.15 g/mol
LogP3.78
Rot. Bonds3

About [6-bromo-2-(difluoromethyl)-8-ethylquinolin-4-yl]hydrazine

[6-bromo-2-(difluoromethyl)-8-ethylquinolin-4-yl]hydrazine (PubChem CID 81288815) has the molecular formula C12H12BrF2N3 and a molecular weight of 316.15 g/mol. Its IUPAC name is [6-bromo-2-(difluoromethyl)-8-ethylquinolin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-bromo-2-(difluoromethyl)-8-ethylquinolin-4-yl]hydrazine
PubChem CID81288815
Molecular FormulaC12H12BrF2N3
Molecular Weight316.15 g/mol
Exact Mass315.02
IUPAC Name[6-bromo-2-(difluoromethyl)-8-ethylquinolin-4-yl]hydrazine
SMILESCCc1cc(Br)cc2c(NN)cc(C(F)F)nc12
InChIInChI=1S/C12H12BrF2N3/c1-2-6-3-7(13)4-8-9(18-16)5-10(12(14)15)17-11(6)8/h3-5,12H,2,16H2,1H3,(H,17,18)
InChIKeyJGJWLYBOJUSLGG-UHFFFAOYSA-N
XLogP3.78
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 53.78
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 [6-bromo-2-(difluoromethyl)-8-ethylquinolin-4-yl]hydrazine?
The IUPAC name of [6-bromo-2-(difluoromethyl)-8-ethylquinolin-4-yl]hydrazine (CID 81288815) is [6-bromo-2-(difluoromethyl)-8-ethylquinolin-4-yl]hydrazine.
What is the SMILES notation for [6-bromo-2-(difluoromethyl)-8-ethylquinolin-4-yl]hydrazine?
The canonical SMILES for [6-bromo-2-(difluoromethyl)-8-ethylquinolin-4-yl]hydrazine is CCc1cc(Br)cc2c(NN)cc(C(F)F)nc12.
What is the InChIKey of [6-bromo-2-(difluoromethyl)-8-ethylquinolin-4-yl]hydrazine?
The InChIKey is JGJWLYBOJUSLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrF2N3/c1-2-6-3-7(13)4-8-9(18-16)5-10(12(14)15)17-11(6)8/h3-5,12H,2,16H2,1H3,(H,17,18).
What are the key properties of [6-bromo-2-(difluoromethyl)-8-ethylquinolin-4-yl]hydrazine?
[6-bromo-2-(difluoromethyl)-8-ethylquinolin-4-yl]hydrazine has a molecular weight of 316.15 g/mol, XLogP of 3.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-2-(difluoromethyl)-8-ethylquinolin-4-yl]hydrazine is sourced from PubChem (CID 81288815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).