(8-bromo-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine

C13H13BrFN3 — CID 62250572

IUPAC(8-bromo-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
SMILESNNc1c2c(nc3c(F)ccc(Br)c13)CCCC2
InChIInChI=1S/C13H13BrFN3/c14-8-5-6-9(15)13-11(8)12(18-16)7-3-1-2-4-10(7)17-13/h5-6H,1-4,16H2,(H,17,18)
InChIKeyVSIZGKQDGCTJGK-UHFFFAOYSA-N
MW310.17 g/mol
LogP3.30
Rot. Bonds1

About (8-bromo-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine

(8-bromo-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine (PubChem CID 62250572) has the molecular formula C13H13BrFN3 and a molecular weight of 310.17 g/mol. Its IUPAC name is (8-bromo-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine.

Molecular Properties

Compound Name(8-bromo-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
PubChem CID62250572
Molecular FormulaC13H13BrFN3
Molecular Weight310.17 g/mol
Exact Mass309.03
IUPAC Name(8-bromo-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
SMILESNNc1c2c(nc3c(F)ccc(Br)c13)CCCC2
InChIInChI=1S/C13H13BrFN3/c14-8-5-6-9(15)13-11(8)12(18-16)7-3-1-2-4-10(7)17-13/h5-6H,1-4,16H2,(H,17,18)
InChIKeyVSIZGKQDGCTJGK-UHFFFAOYSA-N
XLogP3.30
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.17
LogP ≤ 53.30
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 (8-bromo-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine?
The IUPAC name of (8-bromo-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine (CID 62250572) is (8-bromo-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine.
What is the SMILES notation for (8-bromo-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine?
The canonical SMILES for (8-bromo-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine is NNc1c2c(nc3c(F)ccc(Br)c13)CCCC2.
What is the InChIKey of (8-bromo-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine?
The InChIKey is VSIZGKQDGCTJGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrFN3/c14-8-5-6-9(15)13-11(8)12(18-16)7-3-1-2-4-10(7)17-13/h5-6H,1-4,16H2,(H,17,18).
What are the key properties of (8-bromo-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine?
(8-bromo-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine has a molecular weight of 310.17 g/mol, XLogP of 3.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-bromo-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine is sourced from PubChem (CID 62250572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).