9-bromo-6,7-dichloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

C11H9BrCl2N2 — CID 169197084

IUPAC9-bromo-6,7-dichloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
SMILESClc1cc(Br)c2c3c([nH]c2c1Cl)CCNC3
InChIInChI=1S/C11H9BrCl2N2/c12-6-3-7(13)10(14)11-9(6)5-4-15-2-1-8(5)16-11/h3,15-16H,1-2,4H2
InChIKeyFNVSOXQEMOHKEX-UHFFFAOYSA-N
MW320.02 g/mol
LogP3.88
Rot. Bonds

About 9-bromo-6,7-dichloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole

9-bromo-6,7-dichloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole (PubChem CID 169197084) has the molecular formula C11H9BrCl2N2 and a molecular weight of 320.02 g/mol. Its IUPAC name is 9-bromo-6,7-dichloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole.

Molecular Properties

Compound Name9-bromo-6,7-dichloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
PubChem CID169197084
Molecular FormulaC11H9BrCl2N2
Molecular Weight320.02 g/mol
Exact Mass317.93
IUPAC Name9-bromo-6,7-dichloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
SMILESClc1cc(Br)c2c3c([nH]c2c1Cl)CCNC3
InChIInChI=1S/C11H9BrCl2N2/c12-6-3-7(13)10(14)11-9(6)5-4-15-2-1-8(5)16-11/h3,15-16H,1-2,4H2
InChIKeyFNVSOXQEMOHKEX-UHFFFAOYSA-N
XLogP3.88
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.02
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-bromo-6,7-dichloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
The IUPAC name of 9-bromo-6,7-dichloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole (CID 169197084) is 9-bromo-6,7-dichloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole.
What is the SMILES notation for 9-bromo-6,7-dichloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
The canonical SMILES for 9-bromo-6,7-dichloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole is Clc1cc(Br)c2c3c([nH]c2c1Cl)CCNC3.
What is the InChIKey of 9-bromo-6,7-dichloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
The InChIKey is FNVSOXQEMOHKEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrCl2N2/c12-6-3-7(13)10(14)11-9(6)5-4-15-2-1-8(5)16-11/h3,15-16H,1-2,4H2.
What are the key properties of 9-bromo-6,7-dichloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole?
9-bromo-6,7-dichloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole has a molecular weight of 320.02 g/mol, XLogP of 3.88, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-bromo-6,7-dichloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole is sourced from PubChem (CID 169197084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).