[6-bromo-7-fluoro-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine

C11H8BrF4N3 — CID 103996968

IUPAC[6-bromo-7-fluoro-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
SMILESCc1c(C(F)(F)F)nc2cc(F)c(Br)cc2c1NN
InChIInChI=1S/C11H8BrF4N3/c1-4-9(19-17)5-2-6(12)7(13)3-8(5)18-10(4)11(14,15)16/h2-3H,17H2,1H3,(H,18,19)
InChIKeyBLMFGZNMQAUWCT-UHFFFAOYSA-N
MW338.10 g/mol
LogP3.75
Rot. Bonds1

About [6-bromo-7-fluoro-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine

[6-bromo-7-fluoro-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine (PubChem CID 103996968) has the molecular formula C11H8BrF4N3 and a molecular weight of 338.10 g/mol. Its IUPAC name is [6-bromo-7-fluoro-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine.

Molecular Properties

Compound Name[6-bromo-7-fluoro-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
PubChem CID103996968
Molecular FormulaC11H8BrF4N3
Molecular Weight338.10 g/mol
Exact Mass336.98
IUPAC Name[6-bromo-7-fluoro-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
SMILESCc1c(C(F)(F)F)nc2cc(F)c(Br)cc2c1NN
InChIInChI=1S/C11H8BrF4N3/c1-4-9(19-17)5-2-6(12)7(13)3-8(5)18-10(4)11(14,15)16/h2-3H,17H2,1H3,(H,18,19)
InChIKeyBLMFGZNMQAUWCT-UHFFFAOYSA-N
XLogP3.75
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.10
LogP ≤ 53.75
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

[6,7-dimethoxy-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 63744262
6,7-difluoro-3-methyl-N-propyl-2-(trifluoromethyl)quinolin-4-amine
CID 63744755
[3-methyl-6-propyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 63744933
7-chloro-N,3,6-trimethyl-2-(trifluoromethyl)quinolin-4-amine
CID 104722067
[3,7,8-trimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 55229164
[6-chloro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 63742394
[8-bromo-5-iodo-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 114261091
6-bromo-7-fluoro-2,3-dimethyl-N-propylquinolin-4-amine
CID 103996873
[5-fluoro-3,8-dimethyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 63744433
(2-ethyl-7-fluoro-3,6-dimethylquinolin-4-yl)hydrazine
CID 103996238
6-methoxy-N,3-dimethyl-2-(trifluoromethyl)quinolin-4-amine
CID 63743568
N,8-dimethyl-7-(trifluoromethyl)-2,3-dihydro-[1,4]dioxino[2,3-g]quinolin-9-amine
CID 63744415

Frequently Asked Questions

What is the IUPAC name of [6-bromo-7-fluoro-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
The IUPAC name of [6-bromo-7-fluoro-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine (CID 103996968) is [6-bromo-7-fluoro-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine.
What is the SMILES notation for [6-bromo-7-fluoro-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
The canonical SMILES for [6-bromo-7-fluoro-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine is Cc1c(C(F)(F)F)nc2cc(F)c(Br)cc2c1NN.
What is the InChIKey of [6-bromo-7-fluoro-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
The InChIKey is BLMFGZNMQAUWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrF4N3/c1-4-9(19-17)5-2-6(12)7(13)3-8(5)18-10(4)11(14,15)16/h2-3H,17H2,1H3,(H,18,19).
What are the key properties of [6-bromo-7-fluoro-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine?
[6-bromo-7-fluoro-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine has a molecular weight of 338.10 g/mol, XLogP of 3.75, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-bromo-7-fluoro-3-methyl-2-(trifluoromethyl)quinolin-4-yl]hydrazine is sourced from PubChem (CID 103996968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).