[5-bromo-8-fluoro-2-(methoxymethyl)quinolin-4-yl]hydrazine

C11H11BrFN3O — CID 62319017

IUPAC[5-bromo-8-fluoro-2-(methoxymethyl)quinolin-4-yl]hydrazine
SMILESCOCc1cc(NN)c2c(Br)ccc(F)c2n1
InChIInChI=1S/C11H11BrFN3O/c1-17-5-6-4-9(16-14)10-7(12)2-3-8(13)11(10)15-6/h2-4H,5,14H2,1H3,(H,15,16)
InChIKeyCEQMZSVJVPDQHE-UHFFFAOYSA-N
MW300.13 g/mol
LogP2.57
Rot. Bonds3

About [5-bromo-8-fluoro-2-(methoxymethyl)quinolin-4-yl]hydrazine

[5-bromo-8-fluoro-2-(methoxymethyl)quinolin-4-yl]hydrazine (PubChem CID 62319017) has the molecular formula C11H11BrFN3O and a molecular weight of 300.13 g/mol. Its IUPAC name is [5-bromo-8-fluoro-2-(methoxymethyl)quinolin-4-yl]hydrazine.

Molecular Properties

Compound Name[5-bromo-8-fluoro-2-(methoxymethyl)quinolin-4-yl]hydrazine
PubChem CID62319017
Molecular FormulaC11H11BrFN3O
Molecular Weight300.13 g/mol
Exact Mass299.01
IUPAC Name[5-bromo-8-fluoro-2-(methoxymethyl)quinolin-4-yl]hydrazine
SMILESCOCc1cc(NN)c2c(Br)ccc(F)c2n1
InChIInChI=1S/C11H11BrFN3O/c1-17-5-6-4-9(16-14)10-7(12)2-3-8(13)11(10)15-6/h2-4H,5,14H2,1H3,(H,15,16)
InChIKeyCEQMZSVJVPDQHE-UHFFFAOYSA-N
XLogP2.57
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.13
LogP ≤ 52.57
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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Frequently Asked Questions

What is the IUPAC name of [5-bromo-8-fluoro-2-(methoxymethyl)quinolin-4-yl]hydrazine?
The IUPAC name of [5-bromo-8-fluoro-2-(methoxymethyl)quinolin-4-yl]hydrazine (CID 62319017) is [5-bromo-8-fluoro-2-(methoxymethyl)quinolin-4-yl]hydrazine.
What is the SMILES notation for [5-bromo-8-fluoro-2-(methoxymethyl)quinolin-4-yl]hydrazine?
The canonical SMILES for [5-bromo-8-fluoro-2-(methoxymethyl)quinolin-4-yl]hydrazine is COCc1cc(NN)c2c(Br)ccc(F)c2n1.
What is the InChIKey of [5-bromo-8-fluoro-2-(methoxymethyl)quinolin-4-yl]hydrazine?
The InChIKey is CEQMZSVJVPDQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFN3O/c1-17-5-6-4-9(16-14)10-7(12)2-3-8(13)11(10)15-6/h2-4H,5,14H2,1H3,(H,15,16).
What are the key properties of [5-bromo-8-fluoro-2-(methoxymethyl)quinolin-4-yl]hydrazine?
[5-bromo-8-fluoro-2-(methoxymethyl)quinolin-4-yl]hydrazine has a molecular weight of 300.13 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-bromo-8-fluoro-2-(methoxymethyl)quinolin-4-yl]hydrazine is sourced from PubChem (CID 62319017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).