8-bromo-6-iodo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride

C11H11BrClIN2 — CID 69192315

IUPAC8-bromo-6-iodo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride
SMILESBrc1cc(I)c2[nH]c3c(c2c1)CNCC3.Cl
InChIInChI=1S/C11H10BrIN2.ClH/c12-6-3-7-8-5-14-2-1-10(8)15-11(7)9(13)4-6;/h3-4,14-15H,1-2,5H2;1H
InChIKeyHYYOTXIMHBZQIR-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.60
Rot. Bonds

About 8-bromo-6-iodo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride

8-bromo-6-iodo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride (PubChem CID 69192315) has the molecular formula C11H11BrClIN2 and a molecular weight of 413.48 g/mol. Its IUPAC name is 8-bromo-6-iodo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride.

Molecular Properties

Compound Name8-bromo-6-iodo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride
PubChem CID69192315
Molecular FormulaC11H11BrClIN2
Molecular Weight413.48 g/mol
Exact Mass411.88
IUPAC Name8-bromo-6-iodo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride
SMILESBrc1cc(I)c2[nH]c3c(c2c1)CNCC3.Cl
InChIInChI=1S/C11H10BrIN2.ClH/c12-6-3-7-8-5-14-2-1-10(8)15-11(7)9(13)4-6;/h3-4,14-15H,1-2,5H2;1H
InChIKeyHYYOTXIMHBZQIR-UHFFFAOYSA-N
XLogP3.60
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-bromo-6-iodo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride?
The IUPAC name of 8-bromo-6-iodo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride (CID 69192315) is 8-bromo-6-iodo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride.
What is the SMILES notation for 8-bromo-6-iodo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride?
The canonical SMILES for 8-bromo-6-iodo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride is Brc1cc(I)c2[nH]c3c(c2c1)CNCC3.Cl.
What is the InChIKey of 8-bromo-6-iodo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride?
The InChIKey is HYYOTXIMHBZQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrIN2.ClH/c12-6-3-7-8-5-14-2-1-10(8)15-11(7)9(13)4-6;/h3-4,14-15H,1-2,5H2;1H.
What are the key properties of 8-bromo-6-iodo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride?
8-bromo-6-iodo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride has a molecular weight of 413.48 g/mol, XLogP of 3.60, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-6-iodo-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole;hydrochloride is sourced from PubChem (CID 69192315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).