[6,8-dibromo-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine

C11H8Br2F3N3 — CID 55229166

IUPAC[6,8-dibromo-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
SMILESCc1c(C(F)(F)F)nc2c(Br)cc(Br)cc2c1NN
InChIInChI=1S/C11H8Br2F3N3/c1-4-8(19-17)6-2-5(12)3-7(13)9(6)18-10(4)11(14,15)16/h2-3H,17H2,1H3,(H,18,19)
InChIKeyJOVUNFYDRAGYDO-UHFFFAOYSA-N
MW399.01 g/mol
LogP4.37
Rot. Bonds1

About [6,8-dibromo-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine

[6,8-dibromo-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine (PubChem CID 55229166) has the molecular formula C11H8Br2F3N3 and a molecular weight of 399.01 g/mol. Its IUPAC name is [6,8-dibromo-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine.

Molecular Properties

Compound Name[6,8-dibromo-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
PubChem CID55229166
Molecular FormulaC11H8Br2F3N3
Molecular Weight399.01 g/mol
Exact Mass396.90
IUPAC Name[6,8-dibromo-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
SMILESCc1c(C(F)(F)F)nc2c(Br)cc(Br)cc2c1NN
InChIInChI=1S/C11H8Br2F3N3/c1-4-8(19-17)6-2-5(12)3-7(13)9(6)18-10(4)11(14,15)16/h2-3H,17H2,1H3,(H,18,19)
InChIKeyJOVUNFYDRAGYDO-UHFFFAOYSA-N
XLogP4.37
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.01
LogP ≤ 54.37
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 [6,8-dibromo-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
The IUPAC name of [6,8-dibromo-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine (CID 55229166) is [6,8-dibromo-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine.
What is the SMILES notation for [6,8-dibromo-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
The canonical SMILES for [6,8-dibromo-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine is Cc1c(C(F)(F)F)nc2c(Br)cc(Br)cc2c1NN.
What is the InChIKey of [6,8-dibromo-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
The InChIKey is JOVUNFYDRAGYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2F3N3/c1-4-8(19-17)6-2-5(12)3-7(13)9(6)18-10(4)11(14,15)16/h2-3H,17H2,1H3,(H,18,19).
What are the key properties of [6,8-dibromo-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
[6,8-dibromo-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine has a molecular weight of 399.01 g/mol, XLogP of 4.37, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6,8-dibromo-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine is sourced from PubChem (CID 55229166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).