(3R)-5-bromo-7,8-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine

C11H9BrCl2N2 — CID 170426528

IUPAC(3R)-5-bromo-7,8-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine
SMILESN[C@@H]1CCn2c1cc1c(Br)cc(Cl)c(Cl)c12
InChIInChI=1S/C11H9BrCl2N2/c12-6-4-7(13)10(14)11-5(6)3-9-8(15)1-2-16(9)11/h3-4,8H,1-2,15H2/t8-/m1/s1
InChIKeyYRCBZOQZRJSGKC-MRVPVSSYSA-N
MW320.02 g/mol
LogP4.11
Rot. Bonds

About (3R)-5-bromo-7,8-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine

(3R)-5-bromo-7,8-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine (PubChem CID 170426528) has the molecular formula C11H9BrCl2N2 and a molecular weight of 320.02 g/mol. Its IUPAC name is (3R)-5-bromo-7,8-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine.

Molecular Properties

Compound Name(3R)-5-bromo-7,8-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine
PubChem CID170426528
Molecular FormulaC11H9BrCl2N2
Molecular Weight320.02 g/mol
Exact Mass317.93
IUPAC Name(3R)-5-bromo-7,8-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine
SMILESN[C@@H]1CCn2c1cc1c(Br)cc(Cl)c(Cl)c12
InChIInChI=1S/C11H9BrCl2N2/c12-6-4-7(13)10(14)11-5(6)3-9-8(15)1-2-16(9)11/h3-4,8H,1-2,15H2/t8-/m1/s1
InChIKeyYRCBZOQZRJSGKC-MRVPVSSYSA-N
XLogP4.11
TPSA30.95 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 ≤ 54.11
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

(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
9-bromo-6,7-dichloro-1-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 169197165
4-Bromo-6,7-dichloro-1H-indole
CID 169197373
9-Bromo-6,7-dichloro-5-methyl-1,2,3,4-tetrahydropyrido[4,3-b]indole
CID 170101906
(1R)-8-bromo-5,6-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-1-amine
CID 170426532
9-Bromo-6,7-dichloro-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride
CID 170426777
9-Bromo-6,7-dichloro-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 170426778
N-[2-(4-bromo-6,7-dichloroindol-1-yl)ethyl]methanesulfonamide
CID 170426785
1-Bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine
CID 170426841
1-Bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-amine
CID 170426876

Frequently Asked Questions

What is the IUPAC name of (3R)-5-bromo-7,8-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine?
The IUPAC name of (3R)-5-bromo-7,8-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine (CID 170426528) is (3R)-5-bromo-7,8-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine.
What is the SMILES notation for (3R)-5-bromo-7,8-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine?
The canonical SMILES for (3R)-5-bromo-7,8-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine is N[C@@H]1CCn2c1cc1c(Br)cc(Cl)c(Cl)c12.
What is the InChIKey of (3R)-5-bromo-7,8-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine?
The InChIKey is YRCBZOQZRJSGKC-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H9BrCl2N2/c12-6-4-7(13)10(14)11-5(6)3-9-8(15)1-2-16(9)11/h3-4,8H,1-2,15H2/t8-/m1/s1.
What are the key properties of (3R)-5-bromo-7,8-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine?
(3R)-5-bromo-7,8-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine has a molecular weight of 320.02 g/mol, XLogP of 4.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-bromo-7,8-dichloro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-amine is sourced from PubChem (CID 170426528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).