9-bromo-6,7-dichloro-1,2,3,4-tetrahydropyrazino[1,2-a]indole

C11H9BrCl2N2 — CID 170426778

IUPAC9-bromo-6,7-dichloro-1,2,3,4-tetrahydropyrazino[1,2-a]indole
SMILESClc1cc(Br)c2cc3n(c2c1Cl)CCNC3
InChIInChI=1S/C11H9BrCl2N2/c12-8-4-9(13)10(14)11-7(8)3-6-5-15-1-2-16(6)11/h3-4,15H,1-2,5H2
InChIKeyHGOPCJACTDFGIN-UHFFFAOYSA-N
MW320.02 g/mol
LogP3.81
Rot. Bonds

About 9-bromo-6,7-dichloro-1,2,3,4-tetrahydropyrazino[1,2-a]indole

9-bromo-6,7-dichloro-1,2,3,4-tetrahydropyrazino[1,2-a]indole (PubChem CID 170426778) has the molecular formula C11H9BrCl2N2 and a molecular weight of 320.02 g/mol. Its IUPAC name is 9-bromo-6,7-dichloro-1,2,3,4-tetrahydropyrazino[1,2-a]indole.

Molecular Properties

Compound Name9-bromo-6,7-dichloro-1,2,3,4-tetrahydropyrazino[1,2-a]indole
PubChem CID170426778
Molecular FormulaC11H9BrCl2N2
Molecular Weight320.02 g/mol
Exact Mass317.93
IUPAC Name9-bromo-6,7-dichloro-1,2,3,4-tetrahydropyrazino[1,2-a]indole
SMILESClc1cc(Br)c2cc3n(c2c1Cl)CCNC3
InChIInChI=1S/C11H9BrCl2N2/c12-8-4-9(13)10(14)11-7(8)3-6-5-15-1-2-16(6)11/h3-4,15H,1-2,5H2
InChIKeyHGOPCJACTDFGIN-UHFFFAOYSA-N
XLogP3.81
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.02
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

9-Bromo-7-chloro-5-(difluoromethyl)-6-fluoro-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 139387851
6,7-Dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride
CID 22338093
6,7-Dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 22338094
7,8-Dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 22595916
7,8-Dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride
CID 22595945
(4R)-6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride
CID 68889184
(4R)-6,7-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 68889185
(R)-7,8-Dichloro-4-methyl-1,2,3,4-tetrahydro-pyrazino[1,2-a]indole hydrochloride
CID 68889223
(4R)-7,8-dichloro-4-methyl-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 68889224
2-(6,7-Dichloro-2-methylindol-1-yl)ethanamine
CID 135333284
(1R)-9-bromo-6,7-dichloro-1-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 163227259
2-amino-1-(9-bromo-6,7-dichloro-5-methyl-3,4-dihydro-1H-pyrido[4,3-b]indol-2-yl)ethanone
CID 169147827

Frequently Asked Questions

What is the IUPAC name of 9-bromo-6,7-dichloro-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The IUPAC name of 9-bromo-6,7-dichloro-1,2,3,4-tetrahydropyrazino[1,2-a]indole (CID 170426778) is 9-bromo-6,7-dichloro-1,2,3,4-tetrahydropyrazino[1,2-a]indole.
What is the SMILES notation for 9-bromo-6,7-dichloro-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The canonical SMILES for 9-bromo-6,7-dichloro-1,2,3,4-tetrahydropyrazino[1,2-a]indole is Clc1cc(Br)c2cc3n(c2c1Cl)CCNC3.
What is the InChIKey of 9-bromo-6,7-dichloro-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The InChIKey is HGOPCJACTDFGIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrCl2N2/c12-8-4-9(13)10(14)11-7(8)3-6-5-15-1-2-16(6)11/h3-4,15H,1-2,5H2.
What are the key properties of 9-bromo-6,7-dichloro-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
9-bromo-6,7-dichloro-1,2,3,4-tetrahydropyrazino[1,2-a]indole has a molecular weight of 320.02 g/mol, XLogP of 3.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-6,7-dichloro-1,2,3,4-tetrahydropyrazino[1,2-a]indole is sourced from PubChem (CID 170426778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).