(7-bromo-5,6-dichloro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine

C13H12BrCl2N3 — CID 114002173

IUPAC(7-bromo-5,6-dichloro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
SMILESNNc1c2c(nc3c(Cl)c(Cl)c(Br)cc13)CCCC2
InChIInChI=1S/C13H12BrCl2N3/c14-8-5-7-12(19-17)6-3-1-2-4-9(6)18-13(7)11(16)10(8)15/h5H,1-4,17H2,(H,18,19)
InChIKeyFEXVKWRCKOWSER-UHFFFAOYSA-N
MW361.07 g/mol
LogP4.47
Rot. Bonds1

About (7-bromo-5,6-dichloro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine

(7-bromo-5,6-dichloro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine (PubChem CID 114002173) has the molecular formula C13H12BrCl2N3 and a molecular weight of 361.07 g/mol. Its IUPAC name is (7-bromo-5,6-dichloro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine.

Molecular Properties

Compound Name(7-bromo-5,6-dichloro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
PubChem CID114002173
Molecular FormulaC13H12BrCl2N3
Molecular Weight361.07 g/mol
Exact Mass358.96
IUPAC Name(7-bromo-5,6-dichloro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
SMILESNNc1c2c(nc3c(Cl)c(Cl)c(Br)cc13)CCCC2
InChIInChI=1S/C13H12BrCl2N3/c14-8-5-7-12(19-17)6-3-1-2-4-9(6)18-13(7)11(16)10(8)15/h5H,1-4,17H2,(H,18,19)
InChIKeyFEXVKWRCKOWSER-UHFFFAOYSA-N
XLogP4.47
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.07
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-bromo-5,6-dichloro-N-propyl-1,2,3,4-tetrahydroacridin-9-amine
CID 107793865
(7-chloro-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
CID 62251323
(7-chloro-5-methyl-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
CID 63482072
(7-bromo-5-methyl-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
CID 63482059
(2-bromo-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine
CID 63481881
(4-chloro-2-iodo-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine
CID 107607966
8-bromo-6,7,10-trichloro-3,4-dihydro-1H-pyrano[4,3-b]quinoline
CID 114002088
(7-bromo-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
CID 62251532
(8-bromo-5-fluoro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
CID 62250572
(1-chloro-4-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine
CID 55195202
(1,3-dichloro-2-fluoro-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)hydrazine
CID 107579086
(6-fluoro-5-methyl-1,2,3,4-tetrahydroacridin-9-yl)hydrazine
CID 62251732

Frequently Asked Questions

What is the IUPAC name of (7-bromo-5,6-dichloro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine?
The IUPAC name of (7-bromo-5,6-dichloro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine (CID 114002173) is (7-bromo-5,6-dichloro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine.
What is the SMILES notation for (7-bromo-5,6-dichloro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine?
The canonical SMILES for (7-bromo-5,6-dichloro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine is NNc1c2c(nc3c(Cl)c(Cl)c(Br)cc13)CCCC2.
What is the InChIKey of (7-bromo-5,6-dichloro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine?
The InChIKey is FEXVKWRCKOWSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrCl2N3/c14-8-5-7-12(19-17)6-3-1-2-4-9(6)18-13(7)11(16)10(8)15/h5H,1-4,17H2,(H,18,19).
What are the key properties of (7-bromo-5,6-dichloro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine?
(7-bromo-5,6-dichloro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine has a molecular weight of 361.07 g/mol, XLogP of 4.47, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-bromo-5,6-dichloro-1,2,3,4-tetrahydroacridin-9-yl)hydrazine is sourced from PubChem (CID 114002173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).