[7-bromo-2-(difluoromethyl)-8-methylquinolin-4-yl]hydrazine

C11H10BrF2N3 — CID 107629088

IUPAC[7-bromo-2-(difluoromethyl)-8-methylquinolin-4-yl]hydrazine
SMILESCc1c(Br)ccc2c(NN)cc(C(F)F)nc12
InChIInChI=1S/C11H10BrF2N3/c1-5-7(12)3-2-6-8(17-15)4-9(11(13)14)16-10(5)6/h2-4,11H,15H2,1H3,(H,16,17)
InChIKeyXZBITTVOASTMPS-UHFFFAOYSA-N
MW302.12 g/mol
LogP3.53
Rot. Bonds2

About [7-bromo-2-(difluoromethyl)-8-methylquinolin-4-yl]hydrazine

[7-bromo-2-(difluoromethyl)-8-methylquinolin-4-yl]hydrazine (PubChem CID 107629088) has the molecular formula C11H10BrF2N3 and a molecular weight of 302.12 g/mol. Its IUPAC name is [7-bromo-2-(difluoromethyl)-8-methylquinolin-4-yl]hydrazine.

Molecular Properties

Compound Name[7-bromo-2-(difluoromethyl)-8-methylquinolin-4-yl]hydrazine
PubChem CID107629088
Molecular FormulaC11H10BrF2N3
Molecular Weight302.12 g/mol
Exact Mass301.00
IUPAC Name[7-bromo-2-(difluoromethyl)-8-methylquinolin-4-yl]hydrazine
SMILESCc1c(Br)ccc2c(NN)cc(C(F)F)nc12
InChIInChI=1S/C11H10BrF2N3/c1-5-7(12)3-2-6-8(17-15)4-9(11(13)14)16-10(5)6/h2-4,11H,15H2,1H3,(H,16,17)
InChIKeyXZBITTVOASTMPS-UHFFFAOYSA-N
XLogP3.53
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.12
LogP ≤ 53.53
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 [7-bromo-2-(difluoromethyl)-8-methylquinolin-4-yl]hydrazine?
The IUPAC name of [7-bromo-2-(difluoromethyl)-8-methylquinolin-4-yl]hydrazine (CID 107629088) is [7-bromo-2-(difluoromethyl)-8-methylquinolin-4-yl]hydrazine.
What is the SMILES notation for [7-bromo-2-(difluoromethyl)-8-methylquinolin-4-yl]hydrazine?
The canonical SMILES for [7-bromo-2-(difluoromethyl)-8-methylquinolin-4-yl]hydrazine is Cc1c(Br)ccc2c(NN)cc(C(F)F)nc12.
What is the InChIKey of [7-bromo-2-(difluoromethyl)-8-methylquinolin-4-yl]hydrazine?
The InChIKey is XZBITTVOASTMPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF2N3/c1-5-7(12)3-2-6-8(17-15)4-9(11(13)14)16-10(5)6/h2-4,11H,15H2,1H3,(H,16,17).
What are the key properties of [7-bromo-2-(difluoromethyl)-8-methylquinolin-4-yl]hydrazine?
[7-bromo-2-(difluoromethyl)-8-methylquinolin-4-yl]hydrazine has a molecular weight of 302.12 g/mol, XLogP of 3.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [7-bromo-2-(difluoromethyl)-8-methylquinolin-4-yl]hydrazine is sourced from PubChem (CID 107629088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).