6-bromo-9-methylpyrido[3,4-b]indol-1-amine

C12H10BrN3 — CID 115051036

IUPAC6-bromo-9-methylpyrido[3,4-b]indol-1-amine
SMILESCn1c2ccc(Br)cc2c2ccnc(N)c21
InChIInChI=1S/C12H10BrN3/c1-16-10-3-2-7(13)6-9(10)8-4-5-15-12(14)11(8)16/h2-6H,1H3,(H2,14,15)
InChIKeyNCJMQOXPUISYGF-UHFFFAOYSA-N
MW276.14 g/mol
LogP3.07
Rot. Bonds

About 6-bromo-9-methylpyrido[3,4-b]indol-1-amine

6-bromo-9-methylpyrido[3,4-b]indol-1-amine (PubChem CID 115051036) has the molecular formula C12H10BrN3 and a molecular weight of 276.14 g/mol. Its IUPAC name is 6-bromo-9-methylpyrido[3,4-b]indol-1-amine.

Molecular Properties

Compound Name6-bromo-9-methylpyrido[3,4-b]indol-1-amine
PubChem CID115051036
Molecular FormulaC12H10BrN3
Molecular Weight276.14 g/mol
Exact Mass275.01
IUPAC Name6-bromo-9-methylpyrido[3,4-b]indol-1-amine
SMILESCn1c2ccc(Br)cc2c2ccnc(N)c21
InChIInChI=1S/C12H10BrN3/c1-16-10-3-2-7(13)6-9(10)8-4-5-15-12(14)11(8)16/h2-6H,1H3,(H2,14,15)
InChIKeyNCJMQOXPUISYGF-UHFFFAOYSA-N
XLogP3.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.14
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-9-methylpyrido[2,3-b]indole
CID 19439810
8-bromo-5-methanidyl-11-methylbenzo[a]carbazole;yttrium
CID 58410439
9-bromo-5,6,11-trimethylpyrido[4,3-b]carbazole
CID 56673067
9-bromobenzo[f][2,7]naphthyridin-4-amine
CID 69170958
2-(5-bromo-1-methylindol-3-yl)pyridin-4-amine
CID 115114160
2,10-dibromo-5,7-dimethylindolo[2,3-b]carbazole-6-carboxylic acid
CID 22025396
3-amino-5-bromo-1-methylindole-2-carboxylic acid
CID 83825958
1-chloro-6-fluoro-9-methylpyrido[3,4-b]indole
CID 115040554
4-bromo-8,10,13,15-tetrazaheptacyclo[13.9.2.02,7.08,25.09,14.016,21.022,26]hexacosa-1(25),2(7),3,5,9,11,13,16,18,20,22(26),23-dodecaene
CID 149498274
6-bromo-9-[(6-bromo-1-methylpyrido[3,4-b]indol-9-yl)methyl]-1-methylpyrido[3,4-b]indole;6-bromo-1-methyl-9H-pyrido[3,4-b]indole
CID 158917289
6-bromo-9-[5-(6-bromopyrido[3,4-b]indol-9-yl)pentyl]-1-methylpyrido[3,4-b]indole
CID 71539375
6-bromo-1-methylindazol-3-amine
CID 46835549

Frequently Asked Questions

What is the IUPAC name of 6-bromo-9-methylpyrido[3,4-b]indol-1-amine?
The IUPAC name of 6-bromo-9-methylpyrido[3,4-b]indol-1-amine (CID 115051036) is 6-bromo-9-methylpyrido[3,4-b]indol-1-amine.
What is the SMILES notation for 6-bromo-9-methylpyrido[3,4-b]indol-1-amine?
The canonical SMILES for 6-bromo-9-methylpyrido[3,4-b]indol-1-amine is Cn1c2ccc(Br)cc2c2ccnc(N)c21.
What is the InChIKey of 6-bromo-9-methylpyrido[3,4-b]indol-1-amine?
The InChIKey is NCJMQOXPUISYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3/c1-16-10-3-2-7(13)6-9(10)8-4-5-15-12(14)11(8)16/h2-6H,1H3,(H2,14,15).
What are the key properties of 6-bromo-9-methylpyrido[3,4-b]indol-1-amine?
6-bromo-9-methylpyrido[3,4-b]indol-1-amine has a molecular weight of 276.14 g/mol, XLogP of 3.07, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-9-methylpyrido[3,4-b]indol-1-amine is sourced from PubChem (CID 115051036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).