(7-chloro-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine

C13H13ClFN3 — CID 62251323

IUPAC(7-chloro-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
SMILESNNc1c2c(nc3c(F)cc(Cl)cc13)CCCC2
InChIInChI=1S/C13H13ClFN3/c14-7-5-9-12(18-16)8-3-1-2-4-11(8)17-13(9)10(15)6-7/h5-6H,1-4,16H2,(H,17,18)
InChIKeyNEXHSSBMUVMREK-UHFFFAOYSA-N
MW265.72 g/mol
LogP3.19
Rot. Bonds1

About (7-chloro-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine

(7-chloro-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine (PubChem CID 62251323) has the molecular formula C13H13ClFN3 and a molecular weight of 265.72 g/mol. Its IUPAC name is (7-chloro-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine.

Molecular Properties

Compound Name(7-chloro-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
PubChem CID62251323
Molecular FormulaC13H13ClFN3
Molecular Weight265.72 g/mol
Exact Mass265.08
IUPAC Name(7-chloro-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
SMILESNNc1c2c(nc3c(F)cc(Cl)cc13)CCCC2
InChIInChI=1S/C13H13ClFN3/c14-7-5-9-12(18-16)8-3-1-2-4-11(8)17-13(9)10(15)6-7/h5-6H,1-4,16H2,(H,17,18)
InChIKeyNEXHSSBMUVMREK-UHFFFAOYSA-N
XLogP3.19
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.72
LogP ≤ 53.19
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-chloro-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine?
The IUPAC name of (7-chloro-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine (CID 62251323) is (7-chloro-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine.
What is the SMILES notation for (7-chloro-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine?
The canonical SMILES for (7-chloro-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine is NNc1c2c(nc3c(F)cc(Cl)cc13)CCCC2.
What is the InChIKey of (7-chloro-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine?
The InChIKey is NEXHSSBMUVMREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3/c14-7-5-9-12(18-16)8-3-1-2-4-11(8)17-13(9)10(15)6-7/h5-6H,1-4,16H2,(H,17,18).
What are the key properties of (7-chloro-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine?
(7-chloro-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine has a molecular weight of 265.72 g/mol, XLogP of 3.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine is sourced from PubChem (CID 62251323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).