1-(5-bromo-7-fluoro-4-methyl-3H-quinoxalin-2-yl)-2-methylhydrazine

C10H12BrFN4 — CID 164902663

IUPAC1-(5-bromo-7-fluoro-4-methyl-3H-quinoxalin-2-yl)-2-methylhydrazine
SMILESCNNC1=Nc2cc(F)cc(Br)c2N(C)C1
InChIInChI=1S/C10H12BrFN4/c1-13-15-9-5-16(2)10-7(11)3-6(12)4-8(10)14-9/h3-4,13H,5H2,1-2H3,(H,14,15)
InChIKeyKPAAYWHACSFXKF-UHFFFAOYSA-N
MW287.14 g/mol
LogP1.79
Rot. Bonds1

About 1-(5-bromo-7-fluoro-4-methyl-3H-quinoxalin-2-yl)-2-methylhydrazine

1-(5-bromo-7-fluoro-4-methyl-3H-quinoxalin-2-yl)-2-methylhydrazine (PubChem CID 164902663) has the molecular formula C10H12BrFN4 and a molecular weight of 287.14 g/mol. Its IUPAC name is 1-(5-bromo-7-fluoro-4-methyl-3H-quinoxalin-2-yl)-2-methylhydrazine.

Molecular Properties

Compound Name1-(5-bromo-7-fluoro-4-methyl-3H-quinoxalin-2-yl)-2-methylhydrazine
PubChem CID164902663
Molecular FormulaC10H12BrFN4
Molecular Weight287.14 g/mol
Exact Mass286.02
IUPAC Name1-(5-bromo-7-fluoro-4-methyl-3H-quinoxalin-2-yl)-2-methylhydrazine
SMILESCNNC1=Nc2cc(F)cc(Br)c2N(C)C1
InChIInChI=1S/C10H12BrFN4/c1-13-15-9-5-16(2)10-7(11)3-6(12)4-8(10)14-9/h3-4,13H,5H2,1-2H3,(H,14,15)
InChIKeyKPAAYWHACSFXKF-UHFFFAOYSA-N
XLogP1.79
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.14
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-7-fluoro-4-methyl-3H-quinoxalin-2-yl)-2-methylhydrazine?
The IUPAC name of 1-(5-bromo-7-fluoro-4-methyl-3H-quinoxalin-2-yl)-2-methylhydrazine (CID 164902663) is 1-(5-bromo-7-fluoro-4-methyl-3H-quinoxalin-2-yl)-2-methylhydrazine.
What is the SMILES notation for 1-(5-bromo-7-fluoro-4-methyl-3H-quinoxalin-2-yl)-2-methylhydrazine?
The canonical SMILES for 1-(5-bromo-7-fluoro-4-methyl-3H-quinoxalin-2-yl)-2-methylhydrazine is CNNC1=Nc2cc(F)cc(Br)c2N(C)C1.
What is the InChIKey of 1-(5-bromo-7-fluoro-4-methyl-3H-quinoxalin-2-yl)-2-methylhydrazine?
The InChIKey is KPAAYWHACSFXKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrFN4/c1-13-15-9-5-16(2)10-7(11)3-6(12)4-8(10)14-9/h3-4,13H,5H2,1-2H3,(H,14,15).
What are the key properties of 1-(5-bromo-7-fluoro-4-methyl-3H-quinoxalin-2-yl)-2-methylhydrazine?
1-(5-bromo-7-fluoro-4-methyl-3H-quinoxalin-2-yl)-2-methylhydrazine has a molecular weight of 287.14 g/mol, XLogP of 1.79, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-7-fluoro-4-methyl-3H-quinoxalin-2-yl)-2-methylhydrazine is sourced from PubChem (CID 164902663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).