[5-bromo-2-(difluoromethyl)-8-methoxyquinolin-4-yl]hydrazine

C11H10BrF2N3O — CID 62891261

IUPAC[5-bromo-2-(difluoromethyl)-8-methoxyquinolin-4-yl]hydrazine
SMILESCOc1ccc(Br)c2c(NN)cc(C(F)F)nc12
InChIInChI=1S/C11H10BrF2N3O/c1-18-8-3-2-5(12)9-6(17-15)4-7(11(13)14)16-10(8)9/h2-4,11H,15H2,1H3,(H,16,17)
InChIKeyJRALIEHKICMKMT-UHFFFAOYSA-N
MW318.12 g/mol
LogP3.23
Rot. Bonds3

About [5-bromo-2-(difluoromethyl)-8-methoxyquinolin-4-yl]hydrazine

[5-bromo-2-(difluoromethyl)-8-methoxyquinolin-4-yl]hydrazine (PubChem CID 62891261) has the molecular formula C11H10BrF2N3O and a molecular weight of 318.12 g/mol. Its IUPAC name is [5-bromo-2-(difluoromethyl)-8-methoxyquinolin-4-yl]hydrazine.

Molecular Properties

Compound Name[5-bromo-2-(difluoromethyl)-8-methoxyquinolin-4-yl]hydrazine
PubChem CID62891261
Molecular FormulaC11H10BrF2N3O
Molecular Weight318.12 g/mol
Exact Mass317.00
IUPAC Name[5-bromo-2-(difluoromethyl)-8-methoxyquinolin-4-yl]hydrazine
SMILESCOc1ccc(Br)c2c(NN)cc(C(F)F)nc12
InChIInChI=1S/C11H10BrF2N3O/c1-18-8-3-2-5(12)9-6(17-15)4-7(11(13)14)16-10(8)9/h2-4,11H,15H2,1H3,(H,16,17)
InChIKeyJRALIEHKICMKMT-UHFFFAOYSA-N
XLogP3.23
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.12
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

[2-(difluoromethyl)-5,8-dimethoxyquinolin-4-yl]hydrazine
CID 62892113
[2-(difluoromethyl)-8-methoxy-5-methylquinolin-4-yl]hydrazine
CID 62890904
(5,8-dimethoxy-2-propan-2-ylquinolin-4-yl)hydrazine
CID 55050910
[2-(difluoromethyl)-5,8-diethoxyquinolin-4-yl]hydrazine
CID 62892643
[7-bromo-2-(difluoromethyl)-8-methylquinolin-4-yl]hydrazine
CID 107629088
2-(difluoromethyl)-8-methoxy-5-methyl-N-propylquinolin-4-amine
CID 62890532
(8-bromo-5-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine
CID 107629164
[5,8-dimethoxy-2-(trifluoromethyl)quinolin-4-yl]hydrazine
CID 62251152
5-bromo-2-(difluoromethyl)-N-ethyl-8-methylquinolin-4-amine
CID 62891074
(8-methoxy-2,5-dimethylquinolin-4-yl)hydrazine
CID 62252641
(5-chloro-6,8-dimethoxy-2-propan-2-ylquinolin-4-yl)hydrazine
CID 62250401
5-bromo-8-methoxy-2-methylquinolin-4-amine
CID 62196790

Frequently Asked Questions

What is the IUPAC name of [5-bromo-2-(difluoromethyl)-8-methoxyquinolin-4-yl]hydrazine?
The IUPAC name of [5-bromo-2-(difluoromethyl)-8-methoxyquinolin-4-yl]hydrazine (CID 62891261) is [5-bromo-2-(difluoromethyl)-8-methoxyquinolin-4-yl]hydrazine.
What is the SMILES notation for [5-bromo-2-(difluoromethyl)-8-methoxyquinolin-4-yl]hydrazine?
The canonical SMILES for [5-bromo-2-(difluoromethyl)-8-methoxyquinolin-4-yl]hydrazine is COc1ccc(Br)c2c(NN)cc(C(F)F)nc12.
What is the InChIKey of [5-bromo-2-(difluoromethyl)-8-methoxyquinolin-4-yl]hydrazine?
The InChIKey is JRALIEHKICMKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF2N3O/c1-18-8-3-2-5(12)9-6(17-15)4-7(11(13)14)16-10(8)9/h2-4,11H,15H2,1H3,(H,16,17).
What are the key properties of [5-bromo-2-(difluoromethyl)-8-methoxyquinolin-4-yl]hydrazine?
[5-bromo-2-(difluoromethyl)-8-methoxyquinolin-4-yl]hydrazine has a molecular weight of 318.12 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-2-(difluoromethyl)-8-methoxyquinolin-4-yl]hydrazine is sourced from PubChem (CID 62891261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).