6-bromo-1-methyl-9H-pyrido[3,4-b]indole

C12H9BrN2 — CID 5380465

IUPAC6-bromo-1-methyl-9H-pyrido[3,4-b]indole
SMILESCc1nccc2c1[nH]c1ccc(Br)cc12
InChIInChI=1S/C12H9BrN2/c1-7-12-9(4-5-14-7)10-6-8(13)2-3-11(10)15-12/h2-6,15H,1H3
InChIKeyMGPZBLVKGVLQIV-UHFFFAOYSA-N
MW261.12 g/mol
LogP3.79
Rot. Bonds

About 6-bromo-1-methyl-9H-pyrido[3,4-b]indole

6-bromo-1-methyl-9H-pyrido[3,4-b]indole (PubChem CID 5380465) has the molecular formula C12H9BrN2 and a molecular weight of 261.12 g/mol. Its IUPAC name is 6-bromo-1-methyl-9H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-bromo-1-methyl-9H-pyrido[3,4-b]indole
PubChem CID5380465
Molecular FormulaC12H9BrN2
Molecular Weight261.12 g/mol
Exact Mass259.99
IUPAC Name6-bromo-1-methyl-9H-pyrido[3,4-b]indole
SMILESCc1nccc2c1[nH]c1ccc(Br)cc12
InChIInChI=1S/C12H9BrN2/c1-7-12-9(4-5-14-7)10-6-8(13)2-3-11(10)15-12/h2-6,15H,1H3
InChIKeyMGPZBLVKGVLQIV-UHFFFAOYSA-N
XLogP3.79
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.12
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-methyl-9H-pyrido[3,4-b]indole?
The IUPAC name of 6-bromo-1-methyl-9H-pyrido[3,4-b]indole (CID 5380465) is 6-bromo-1-methyl-9H-pyrido[3,4-b]indole.
What is the SMILES notation for 6-bromo-1-methyl-9H-pyrido[3,4-b]indole?
The canonical SMILES for 6-bromo-1-methyl-9H-pyrido[3,4-b]indole is Cc1nccc2c1[nH]c1ccc(Br)cc12.
What is the InChIKey of 6-bromo-1-methyl-9H-pyrido[3,4-b]indole?
The InChIKey is MGPZBLVKGVLQIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN2/c1-7-12-9(4-5-14-7)10-6-8(13)2-3-11(10)15-12/h2-6,15H,1H3.
What are the key properties of 6-bromo-1-methyl-9H-pyrido[3,4-b]indole?
6-bromo-1-methyl-9H-pyrido[3,4-b]indole has a molecular weight of 261.12 g/mol, XLogP of 3.79, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-methyl-9H-pyrido[3,4-b]indole is sourced from PubChem (CID 5380465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).