7,8-dibromo-9H-pyrido[3,4-b]indole;hydrochloride

C11H7Br2ClN2 — CID 141040361

IUPAC7,8-dibromo-9H-pyrido[3,4-b]indole;hydrochloride
SMILESBrc1ccc2c([nH]c3cnccc32)c1Br.Cl
InChIInChI=1S/C11H6Br2N2.ClH/c12-8-2-1-7-6-3-4-14-5-9(6)15-11(7)10(8)13;/h1-5,15H;1H
InChIKeyDXIQQGHAJSPKBS-UHFFFAOYSA-N
MW362.45 g/mol
LogP4.66
Rot. Bonds

About 7,8-dibromo-9H-pyrido[3,4-b]indole;hydrochloride

7,8-dibromo-9H-pyrido[3,4-b]indole;hydrochloride (PubChem CID 141040361) has the molecular formula C11H7Br2ClN2 and a molecular weight of 362.45 g/mol. Its IUPAC name is 7,8-dibromo-9H-pyrido[3,4-b]indole;hydrochloride.

Molecular Properties

Compound Name7,8-dibromo-9H-pyrido[3,4-b]indole;hydrochloride
PubChem CID141040361
Molecular FormulaC11H7Br2ClN2
Molecular Weight362.45 g/mol
Exact Mass359.87
IUPAC Name7,8-dibromo-9H-pyrido[3,4-b]indole;hydrochloride
SMILESBrc1ccc2c([nH]c3cnccc32)c1Br.Cl
InChIInChI=1S/C11H6Br2N2.ClH/c12-8-2-1-7-6-3-4-14-5-9(6)15-11(7)10(8)13;/h1-5,15H;1H
InChIKeyDXIQQGHAJSPKBS-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

6,8-dibromo-9H-pyrido[3,4-b]indole;hydrochloride
CID 160546617
4-bromo-1H-1,7-naphthyridin-2-one
CID 66631901
8-methoxy-9H-pyrido[3,4-b]indole
CID 22185224
6-chloro-9H-pyrido[3,4-b]indol-8-amine;dihydrochloride
CID 68524321
3-bromo-2-(trifluoromethyl)-1H-pyrrolo[2,3-c]pyridine
CID 155933456
7-chloro-9H-pyrido[3,4-b]indole
CID 22185281
7-(9H-pyrido[3,4-b]indol-7-yloxy)-9H-pyrido[3,4-b]indole
CID 135314461
11-chloro-5,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 122446298
9H-pyrido[3,4-b]indole-7-carbonitrile
CID 22185223
4,10,11-triazatricyclo[6.2.1.02,7]undeca-1(10),2(7),3,5,8-pentaene
CID 90787556
6-phenyl-9H-pyrido[3,4-b]indole
CID 122607643
8-ethyl-6-iodo-9H-pyrido[3,4-b]indole
CID 70884000

Frequently Asked Questions

What is the IUPAC name of 7,8-dibromo-9H-pyrido[3,4-b]indole;hydrochloride?
The IUPAC name of 7,8-dibromo-9H-pyrido[3,4-b]indole;hydrochloride (CID 141040361) is 7,8-dibromo-9H-pyrido[3,4-b]indole;hydrochloride.
What is the SMILES notation for 7,8-dibromo-9H-pyrido[3,4-b]indole;hydrochloride?
The canonical SMILES for 7,8-dibromo-9H-pyrido[3,4-b]indole;hydrochloride is Brc1ccc2c([nH]c3cnccc32)c1Br.Cl.
What is the InChIKey of 7,8-dibromo-9H-pyrido[3,4-b]indole;hydrochloride?
The InChIKey is DXIQQGHAJSPKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2N2.ClH/c12-8-2-1-7-6-3-4-14-5-9(6)15-11(7)10(8)13;/h1-5,15H;1H.
What are the key properties of 7,8-dibromo-9H-pyrido[3,4-b]indole;hydrochloride?
7,8-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 7,8-dibromo-9H-pyrido[3,4-b]indole;hydrochloride is sourced from PubChem (CID 141040361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).