[7-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine

C11H9BrF3N3 — CID 107629093

IUPAC[7-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
SMILESCc1c(Br)ccc2c(NN)cc(C(F)(F)F)nc12
InChIInChI=1S/C11H9BrF3N3/c1-5-7(12)3-2-6-8(18-16)4-9(11(13,14)15)17-10(5)6/h2-4H,16H2,1H3,(H,17,18)
InChIKeyJGEONOCHANMMPB-UHFFFAOYSA-N
MW320.11 g/mol
LogP3.61
Rot. Bonds1

About [7-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine

[7-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine (PubChem CID 107629093) has the molecular formula C11H9BrF3N3 and a molecular weight of 320.11 g/mol. Its IUPAC name is [7-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine.

Molecular Properties

Compound Name[7-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
PubChem CID107629093
Molecular FormulaC11H9BrF3N3
Molecular Weight320.11 g/mol
Exact Mass318.99
IUPAC Name[7-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
SMILESCc1c(Br)ccc2c(NN)cc(C(F)(F)F)nc12
InChIInChI=1S/C11H9BrF3N3/c1-5-7(12)3-2-6-8(18-16)4-9(11(13,14)15)17-10(5)6/h2-4H,16H2,1H3,(H,17,18)
InChIKeyJGEONOCHANMMPB-UHFFFAOYSA-N
XLogP3.61
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.11
LogP ≤ 53.61
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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Related Compounds

(7-bromo-2-tert-butyl-8-methylquinolin-4-yl)hydrazine
CID 107629079
[7-bromo-2-(difluoromethyl)-8-methylquinolin-4-yl]hydrazine
CID 107629088
[7,8-difluoro-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 62251548
[7-chloro-8-fluoro-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 62250575
7-bromo-2-tert-butyl-N-ethyl-8-methylquinolin-4-amine
CID 107628611
[5-fluoro-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 62250423
[8-propyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 62252087
8-bromo-N-ethyl-5-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 82758076
7-chloro-N-ethyl-8-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 55197100
5-bromo-8-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
CID 63479785
(8-bromo-2-tert-butyl-6-methylquinolin-4-yl)hydrazine
CID 63482066
8-bromo-4-chloro-5-methyl-2-(trifluoromethyl)quinoline
CID 82766340

Frequently Asked Questions

What is the IUPAC name of [7-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
The IUPAC name of [7-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine (CID 107629093) is [7-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine.
What is the SMILES notation for [7-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
The canonical SMILES for [7-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine is Cc1c(Br)ccc2c(NN)cc(C(F)(F)F)nc12.
What is the InChIKey of [7-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
The InChIKey is JGEONOCHANMMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrF3N3/c1-5-7(12)3-2-6-8(18-16)4-9(11(13,14)15)17-10(5)6/h2-4H,16H2,1H3,(H,17,18).
What are the key properties of [7-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
[7-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine has a molecular weight of 320.11 g/mol, XLogP of 3.61, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-bromo-8-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine is sourced from PubChem (CID 107629093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).