6,8-dibromo-9H-pyrido[3,4-b]indole;hydrochloride

C11H7Br2ClN2 — CID 160546617

IUPAC6,8-dibromo-9H-pyrido[3,4-b]indole;hydrochloride
SMILESBrc1cc(Br)c2[nH]c3cnccc3c2c1.Cl
InChIInChI=1S/C11H6Br2N2.ClH/c12-6-3-8-7-1-2-14-5-10(7)15-11(8)9(13)4-6;/h1-5,15H;1H
InChIKeyGCOJUFAYWCANJZ-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.66
Rot. Bonds

About 6,8-dibromo-9H-pyrido[3,4-b]indole;hydrochloride

6,8-dibromo-9H-pyrido[3,4-b]indole;hydrochloride (PubChem CID 160546617) has the molecular formula C11H7Br2ClN2 and a molecular weight of 362.45 g/mol. Its IUPAC name is 6,8-dibromo-9H-pyrido[3,4-b]indole;hydrochloride.

Molecular Properties

Compound Name6,8-dibromo-9H-pyrido[3,4-b]indole;hydrochloride
PubChem CID160546617
Molecular FormulaC11H7Br2ClN2
Molecular Weight362.45 g/mol
Exact Mass359.87
IUPAC Name6,8-dibromo-9H-pyrido[3,4-b]indole;hydrochloride
SMILESBrc1cc(Br)c2[nH]c3cnccc3c2c1.Cl
InChIInChI=1S/C11H6Br2N2.ClH/c12-6-3-8-7-1-2-14-5-10(7)15-11(8)9(13)4-6;/h1-5,15H;1H
InChIKeyGCOJUFAYWCANJZ-UHFFFAOYSA-N
XLogP4.66
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.45
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

7,8-dibromo-9H-pyrido[3,4-b]indole;hydrochloride
CID 141040361
6-chloro-9H-pyrido[3,4-b]indol-8-amine;dihydrochloride
CID 68524321
4-bromo-1H-1,7-naphthyridin-2-one
CID 66631901
8-ethyl-6-iodo-9H-pyrido[3,4-b]indole
CID 70884000
7-chloro-9H-pyrido[3,4-b]indole
CID 22185281
8-bromo-5H-pyrido[4,3-b]indole
CID 15550397
6-chloro-7-methoxy-9H-pyrido[3,4-b]indol-8-amine
CID 21362743
7-(9H-pyrido[3,4-b]indol-7-yloxy)-9H-pyrido[3,4-b]indole
CID 135314461
8-methoxy-9H-pyrido[3,4-b]indole
CID 22185224
1,6-dibromo-3-methyl-9H-carbazole
CID 171793156
1,6-dibromo-3-chloro-9H-carbazole
CID 171793473
3-bromo-2-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine
CID 155933456

Frequently Asked Questions

What is the IUPAC name of 6,8-dibromo-9H-pyrido[3,4-b]indole;hydrochloride?
The IUPAC name of 6,8-dibromo-9H-pyrido[3,4-b]indole;hydrochloride (CID 160546617) is 6,8-dibromo-9H-pyrido[3,4-b]indole;hydrochloride.
What is the SMILES notation for 6,8-dibromo-9H-pyrido[3,4-b]indole;hydrochloride?
The canonical SMILES for 6,8-dibromo-9H-pyrido[3,4-b]indole;hydrochloride is Brc1cc(Br)c2[nH]c3cnccc3c2c1.Cl.
What is the InChIKey of 6,8-dibromo-9H-pyrido[3,4-b]indole;hydrochloride?
The InChIKey is GCOJUFAYWCANJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2N2.ClH/c12-6-3-8-7-1-2-14-5-10(7)15-11(8)9(13)4-6;/h1-5,15H;1H.
What are the key properties of 6,8-dibromo-9H-pyrido[3,4-b]indole;hydrochloride?
6,8-dibromo-9H-pyrido[3,4-b]indole;hydrochloride has a molecular weight of 362.45 g/mol, XLogP of 4.66, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dibromo-9H-pyrido[3,4-b]indole;hydrochloride is sourced from PubChem (CID 160546617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).