(4R)-8-bromo-7-fluoro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride

C12H13BrClFN2 — CID 68887822

IUPAC(4R)-8-bromo-7-fluoro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride
SMILESC[C@@H]1CNCc2cc3cc(Br)c(F)cc3n21.Cl
InChIInChI=1S/C12H12BrFN2.ClH/c1-7-5-15-6-9-2-8-3-10(13)11(14)4-12(8)16(7)9;/h2-4,7,15H,5-6H2,1H3;1H/t7-;/m1./s1
InChIKeyKJEOBSJHQGXZQT-OGFXRTJISA-N
MW319.61 g/mol
LogP3.63
Rot. Bonds

About (4R)-8-bromo-7-fluoro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride

(4R)-8-bromo-7-fluoro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride (PubChem CID 68887822) has the molecular formula C12H13BrClFN2 and a molecular weight of 319.61 g/mol. Its IUPAC name is (4R)-8-bromo-7-fluoro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride.

Molecular Properties

Compound Name(4R)-8-bromo-7-fluoro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride
PubChem CID68887822
Molecular FormulaC12H13BrClFN2
Molecular Weight319.61 g/mol
Exact Mass317.99
IUPAC Name(4R)-8-bromo-7-fluoro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride
SMILESC[C@@H]1CNCc2cc3cc(Br)c(F)cc3n21.Cl
InChIInChI=1S/C12H12BrFN2.ClH/c1-7-5-15-6-9-2-8-3-10(13)11(14)4-12(8)16(7)9;/h2-4,7,15H,5-6H2,1H3;1H/t7-;/m1./s1
InChIKeyKJEOBSJHQGXZQT-OGFXRTJISA-N
XLogP3.63
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.61
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R)-8-bromo-7-fluoro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride?
The IUPAC name of (4R)-8-bromo-7-fluoro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride (CID 68887822) is (4R)-8-bromo-7-fluoro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride.
What is the SMILES notation for (4R)-8-bromo-7-fluoro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride?
The canonical SMILES for (4R)-8-bromo-7-fluoro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride is C[C@@H]1CNCc2cc3cc(Br)c(F)cc3n21.Cl.
What is the InChIKey of (4R)-8-bromo-7-fluoro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride?
The InChIKey is KJEOBSJHQGXZQT-OGFXRTJISA-N. The full InChI is InChI=1S/C12H12BrFN2.ClH/c1-7-5-15-6-9-2-8-3-10(13)11(14)4-12(8)16(7)9;/h2-4,7,15H,5-6H2,1H3;1H/t7-;/m1./s1.
What are the key properties of (4R)-8-bromo-7-fluoro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride?
(4R)-8-bromo-7-fluoro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride has a molecular weight of 319.61 g/mol, XLogP of 3.63, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-8-bromo-7-fluoro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride is sourced from PubChem (CID 68887822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).