1-bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine

C12H11BrCl2N2 — CID 170426841

IUPAC1-bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine
SMILESNC1CCCn2c1cc1c(Br)cc(Cl)c(Cl)c12
InChIInChI=1S/C12H11BrCl2N2/c13-7-5-8(14)11(15)12-6(7)4-10-9(16)2-1-3-17(10)12/h4-5,9H,1-3,16H2
InChIKeyRBDIPJIEOHWHCA-UHFFFAOYSA-N
MW334.04 g/mol
LogP4.50
Rot. Bonds

About 1-bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine

1-bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine (PubChem CID 170426841) has the molecular formula C12H11BrCl2N2 and a molecular weight of 334.04 g/mol. Its IUPAC name is 1-bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine.

Molecular Properties

Compound Name1-bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine
PubChem CID170426841
Molecular FormulaC12H11BrCl2N2
Molecular Weight334.04 g/mol
Exact Mass331.95
IUPAC Name1-bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine
SMILESNC1CCCn2c1cc1c(Br)cc(Cl)c(Cl)c12
InChIInChI=1S/C12H11BrCl2N2/c13-7-5-8(14)11(15)12-6(7)4-10-9(16)2-1-3-17(10)12/h4-5,9H,1-3,16H2
InChIKeyRBDIPJIEOHWHCA-UHFFFAOYSA-N
XLogP4.50
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.04
LogP ≤ 54.50
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

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
9-Bromo-6,7-dichloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-B]indole
CID 169197084

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine?
The IUPAC name of 1-bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine (CID 170426841) is 1-bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine.
What is the SMILES notation for 1-bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine?
The canonical SMILES for 1-bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine is NC1CCCn2c1cc1c(Br)cc(Cl)c(Cl)c12.
What is the InChIKey of 1-bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine?
The InChIKey is RBDIPJIEOHWHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrCl2N2/c13-7-5-8(14)11(15)12-6(7)4-10-9(16)2-1-3-17(10)12/h4-5,9H,1-3,16H2.
What are the key properties of 1-bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine?
1-bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine has a molecular weight of 334.04 g/mol, XLogP of 4.50, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine is sourced from PubChem (CID 170426841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).