8-bromo-9-methylpyrido[3,4-b]indole

C12H9BrN2 — CID 123878927

IUPAC8-bromo-9-methylpyrido[3,4-b]indole
SMILESCn1c2cnccc2c2cccc(Br)c21
InChIInChI=1S/C12H9BrN2/c1-15-11-7-14-6-5-8(11)9-3-2-4-10(13)12(9)15/h2-7H,1H3
InChIKeyZHPDGSZCHHARSS-UHFFFAOYSA-N
MW261.12 g/mol
LogP3.49
Rot. Bonds

About 8-bromo-9-methylpyrido[3,4-b]indole

8-bromo-9-methylpyrido[3,4-b]indole (PubChem CID 123878927) has the molecular formula C12H9BrN2 and a molecular weight of 261.12 g/mol. Its IUPAC name is 8-bromo-9-methylpyrido[3,4-b]indole.

Molecular Properties

Compound Name8-bromo-9-methylpyrido[3,4-b]indole
PubChem CID123878927
Molecular FormulaC12H9BrN2
Molecular Weight261.12 g/mol
Exact Mass259.99
IUPAC Name8-bromo-9-methylpyrido[3,4-b]indole
SMILESCn1c2cnccc2c2cccc(Br)c21
InChIInChI=1S/C12H9BrN2/c1-15-11-7-14-6-5-8(11)9-3-2-4-10(13)12(9)15/h2-7H,1H3
InChIKeyZHPDGSZCHHARSS-UHFFFAOYSA-N
XLogP3.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 162422495
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CID 176634699
9-pyrido[3,4-b]indol-9-ylpyrido[3,4-b]indole
CID 86059681
9-phenyl-8-(9-phenylcarbazol-1-yl)pyrido[3,4-b]indole
CID 129221348
1-bromo-9-propylcarbazole
CID 141387102
(7-bromo-1,2-dimethylindol-3-yl)methanamine
CID 82499510
3-(9-methylpyrido[3,4-b]indol-6-yl)benzenesulfonamide
CID 67511321
1-bromo-9-ethylcarbazole
CID 19736997
5-bromo-[1]benzofuro[2,3-c]pyridine
CID 166801895
3-pyrido[3,4-b]indol-9-ylpropanenitrile
CID 91665992
6-(2,2-dimethylpropyl)-9-methylpyrido[3,4-b]indole
CID 67988444
3,5-dibromoimidazo[1,2-f]phenanthridine
CID 118915715

Frequently Asked Questions

What is the IUPAC name of 8-bromo-9-methylpyrido[3,4-b]indole?
The IUPAC name of 8-bromo-9-methylpyrido[3,4-b]indole (CID 123878927) is 8-bromo-9-methylpyrido[3,4-b]indole.
What is the SMILES notation for 8-bromo-9-methylpyrido[3,4-b]indole?
The canonical SMILES for 8-bromo-9-methylpyrido[3,4-b]indole is Cn1c2cnccc2c2cccc(Br)c21.
What is the InChIKey of 8-bromo-9-methylpyrido[3,4-b]indole?
The InChIKey is ZHPDGSZCHHARSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2/c1-15-11-7-14-6-5-8(11)9-3-2-4-10(13)12(9)15/h2-7H,1H3.
What are the key properties of 8-bromo-9-methylpyrido[3,4-b]indole?
8-bromo-9-methylpyrido[3,4-b]indole has a molecular weight of 261.12 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-9-methylpyrido[3,4-b]indole is sourced from PubChem (CID 123878927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).